Geometry & MOs

Info

ID:	402290
PubChem CID:	135055362
Reduced:	O5C20H22 (1)
Stoich.:	A5B20C22 (1)
Weight, g/mol:	461.241992
ΔH_f, kcal/mol:	-158.62
Dipole, Da:	1.35
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3aE,6Z,9aR)-4-methyl-2-(4-methylphenyl)sulfonyl-1,3,5,8,9,9a-hexahydrocycloocta[c]pyrrol-1-yl]methoxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C[C@H](C(=C1)C(=O)OCC)C2=CC=CC=C2)OC

DOS

IR

Vibrations