Geometry & MOs

Info

ID:	89745
PubChem CID:	49964242
Reduced:	N3S3O4C22H31 (1)
Stoich.:	A3B3C4D22E31 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-117.74
Dipole, Da:	12.64
IP(EA), eV:	-7.95(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(benzenesulfonyl)-N-phenylethanimidamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC.CN1C(=O)/C(=C\2/C=CC3=CC=CC=C3N2CCCS(=O)(=O)[O-])/SC1=S

DOS

IR

Vibrations