Geometry & MOs

Info

ID:	191399
PubChem CID:	78143077
Reduced:	O9C25H36 (1)
Stoich.:	A9B25C36 (1)
Weight, g/mol:	523.203268
ΔH_f, kcal/mol:	-384.59
Dipole, Da:	1.74
IP(EA), eV:	-9.13(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[dimethyl(phenyl)silyl]-6-methyl-2-(4-methylphenyl)sulfonyl-8-trimethylsilyl-1,3,4,6-tetrahydrocyclopenta[c]azepin-7-one

Drug info:

PubChemData

Smile

CCOCOC1=C2C(=CC(=C1CCC(CC(=O)CC(C)OCOCC)O)OC)OC(=CC2=O)C

DOS

IR

Vibrations