Geometry & MOs

Info

ID:	66251
PubChem CID:	46501170
Reduced:	SN2Cl3F3H8C16 (1)
Stoich.:	AB2C3D3E8F16 (1)
Weight, g/mol:	434.091246
ΔH_f, kcal/mol:	-100.73
Dipole, Da:	4.56
IP(EA), eV:	-9.1(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N=C(S2)NC3=C(C=CC(=C3)Cl)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations