Geometry & MOs

Info

ID:	135761
PubChem CID:	51930006
Reduced:	N2O3S3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	316.111973
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	1.61
IP(EA), eV:	-8.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-cyanophenyl)methyl-[[3-(methanesulfonamido)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)N[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations