Geometry & MOs

Info

ID:	171853
PubChem CID:	75433731
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	359.03031
ΔH_f, kcal/mol:	8.43
Dipole, Da:	5.39
IP(EA), eV:	-8.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-bromo-4-cyanoanilino)propyl]-N-ethylmethanesulfonamide

Drug info:

PubChemData

Smile

C1CN(C2C1CCOC2=O)C3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

DOS

IR

Vibrations