Geometry & MOs

Info

ID:	185214
PubChem CID:	77271274
Reduced:	SiN5O6C24H39 (1)
Stoich.:	AB5C6D24E39 (1)
Weight, g/mol:	786.430275
ΔH_f, kcal/mol:	-294.63
Dipole, Da:	2.61
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[1-acetyl-5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxy-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

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(OC2C(O1)C(OC2C(C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)N3C=NC4=C(N=CN=C43)N)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(OC2C(O1)C(OC2C(C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)N3C=NC4=C(N=CN=C43)N)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):