Geometry & MOs

Info

ID:	216852
PubChem CID:	85086882
Reduced:	BFNO3C16H25 (1)
Stoich.:	ABCD3E16F25 (1)
Weight, g/mol:	309.096085
ΔH_f, kcal/mol:	-272.89
Dipole, Da:	8.37
IP(EA), eV:	-8.55(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-5-(4-nitroanilino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

[B-]1([N+](CC(=O)O1)(C)C)(C2=CC3=C(O2)C(CCC3C)C(C)C)F

DOS

IR

Vibrations