Geometry & MOs

Info

ID:	194445
PubChem CID:	78537286
Reduced:	BrNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	399.047812
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	7.77
IP(EA), eV:	-10.37(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations