Geometry & MOs

Info

ID:	13743
PubChem CID:	397470
Reduced:	NSO2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	381.17625
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	1.24
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[hydroxy(phenyl)methyl]-4-methyl-3-(phenylsulfanylmethylidene)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1(CN(C(=O)C1=CSC2=CC=CC=C2)C(C)(C)C)C(C3=CC=CC=C3)O

DOS

IR

Vibrations