Geometry & MOs

Info

ID:	191178
PubChem CID:	78115473
Reduced:	N2O5C35H52 (1)
Stoich.:	A2B5C35D52 (1)
Weight, g/mol:	772.604126
ΔH_f, kcal/mol:	-237.14
Dipole, Da:	5.53
IP(EA), eV:	-9.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[5,7a-dimethyl-1-(6-methyl-6-triethylsilyloxyheptan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(CCC2(CCC3(C(C2C1)C(=O)CC4C3(CCC5C4(CCC(C5(C)C)OC(=O)N6C=CN=C6)C)C)C)C(=O)OC)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(CCC2(CCC3(C(C2C1)C(=O)CC4C3(CCC5C4(CCC(C5(C)C)OC(=O)N6C=CN=C6)C)C)C)C(=O)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):