Geometry & MOs

Info

ID:	164804
PubChem CID:	74455092
Reduced:	N3O4S4C18H19 (1)
Stoich.:	A3B4C4D18E19 (1)
Weight, g/mol:	417.03242
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	5.93
IP(EA), eV:	-9.05(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-(ethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)CSCC2=NC(=O)C3C(=CSC3=N2)C4=CC=CS4

DOS

IR

Vibrations