Geometry & MOs

Info

ID:	128953
PubChem CID:	51064206
Reduced:	FO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	420.075596
ΔH_f, kcal/mol:	-109.87
Dipole, Da:	3.27
IP(EA), eV:	-9.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-[4-(3,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C/C(=N/NC(=O)C1=CC(=CC=C1)F)/C

DOS

IR

Vibrations