Geometry & MOs

Info

ID:	173258
PubChem CID:	75611645
Reduced:	N3Cl4O4H9C15 (1)
Stoich.:	A3B4C4D9E15 (1)
Weight, g/mol:	477.09132
ΔH_f, kcal/mol:	-19.38
Dipole, Da:	6.03
IP(EA), eV:	-9.76(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[[4-(4-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C=NNC(=O)COC2=C(C=C(C=C2Cl)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations