Geometry & MOs

Info

ID:	62303
PubChem CID:	26719097
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	11.19
Dipole, Da:	4.75
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-phenyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCC3=CSC=N3

DOS

IR

Vibrations