Geometry & MOs

Info

ID:	394291
PubChem CID:	135022686
Reduced:	NSO2C29H29 (1)
Stoich.:	ABC2D29E29 (1)
Weight, g/mol:	431.1919
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	6.05
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)C)(C)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations