Geometry & MOs

Info

ID:	40707
PubChem CID:	8144558
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	388.093833
ΔH_f, kcal/mol:	-16.35
Dipole, Da:	1.61
IP(EA), eV:	-8.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[4-(benzylamino)-4-oxobutan-2-ylidene]amino]-3-chloro-4-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C5CC5

DOS

IR

Vibrations