Geometry & MOs

Info

ID:	382144
PubChem CID:	134973101
Reduced:	SiO2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	-175.99
Dipole, Da:	2.37
IP(EA), eV:	-8.78(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,5aR)-3-methyl-5-(4-methylphenyl)sulfonyl-1-phenyl-5a,6,7,8-tetrahydro-4H-pyrazolo[3,4-e]indolizine-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[C@H]1/C=C/CO

DOS

IR

Vibrations