Geometry & MOs

Info

ID:	140994
PubChem CID:	52797191
Reduced:	SO2N3C18H30 (1)
Stoich.:	AB2C3D18E30 (1)
Weight, g/mol:	448.172859
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	5.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033136
Charge, e:	1

Chem-info

IUPAC name:

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

DOS

IR

Vibrations