Geometry & MOs

Info

ID:	163394
PubChem CID:	57929548
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	402.032017
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	4.26
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[[5-chloro-2-(dimethylsulfamoyl)phenyl]methyl]-2-iminopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)N2[C@H](CCC2=O)COCC3=CC=CS3)O

DOS

IR

Vibrations