Geometry & MOs

Info

ID:	244437
PubChem CID:	99350867
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	2.65
IP(EA), eV:	-7.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations