Geometry & MOs

Info

ID:	69038
PubChem CID:	46516434
Reduced:	FN3O6C25H28 (1)
Stoich.:	AB3C6D25E28 (1)
Weight, g/mol:	424.070511
ΔH_f, kcal/mol:	-206.72
Dipole, Da:	4.61
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)[C@H](C(C)C)NC(=O)C3=CC(=CC(=C3)OC)OC)F

DOS

IR

Vibrations