Geometry & MOs

Info

ID:	170327
PubChem CID:	75217281
Reduced:	FNO4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	399.143035
ΔH_f, kcal/mol:	-231.23
Dipole, Da:	1.34
IP(EA), eV:	-9.54(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(4-nitroanilino)-4-oxo-1-phenylbutan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(=O)OC)F

DOS

IR

Vibrations