Geometry & MOs

Info

ID:	290265
PubChem CID:	104424815
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	343.0354
ΔH_f, kcal/mol:	-1.95
Dipole, Da:	9.43
IP(EA), eV:	-9.29(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-carbamothioylanilino)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCNC1=CC(=NC=C1)C#N

DOS

IR

Vibrations