Geometry & MOs

Info

ID:	435034
PubChem CID:	135178200
Reduced:	ClNF3O4C25H27 (1)
Stoich.:	ABC3D4E25F27 (1)
Weight, g/mol:	479.159354
ΔH_f, kcal/mol:	-311.42
Dipole, Da:	9.9
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-N-(3-cyanophenyl)-4-[[2-methoxy-5-(methylcarbamoyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=C(C2=C(CCC3(O2)CCN(CC3)CC4=C(C=CC(=C4)Cl)OC(F)F)C=C1)F)C(=O)O

DOS

IR

Vibrations