Geometry & MOs

Info

ID:	41406
PubChem CID:	8145822
Reduced:	ClOSN4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	359.103669
ΔH_f, kcal/mol:	55.48
Dipole, Da:	2.3
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[4-[(4-chlorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=S)OC(=N2)CC3=CC=CC=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations