Geometry & MOs

Info

ID:	40723
PubChem CID:	8144588
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	375.073432
ΔH_f, kcal/mol:	7.7
Dipole, Da:	5.51
IP(EA), eV:	-8.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-nitro-N-[(Z)-[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1N2C(=NN(C2=S)CN3CCOCC3)C4=CC=CC(=C4)C

DOS

IR

Vibrations