Geometry & MOs

Info

ID:	44784
PubChem CID:	10505944
Reduced:	BrClNO2C27H27 (1)
Stoich.:	ABCD2E27F27 (1)
Weight, g/mol:	512.441343
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	4.93
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-3-[(Z)-1-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]prop-1-en-2-yl]-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

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=CC=C3)CC[C@H](CCBr)C4=CC=C(C=C4)Cl

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

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=CC=C3)CC[C@H](CCBr)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):