Geometry & MOs

Info

ID:	141610
PubChem CID:	52901714
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	391.174336
ΔH_f, kcal/mol:	12.4
Dipole, Da:	3.62
IP(EA), eV:	-8.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-acetylpiperazin-1-yl)methyl]-4-(2-methoxycarbonylanilino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC(=O)[C@@H]2[C@@H](N(C(=O)C3=CC=CC=C23)C)C4=CC=CC=C4

DOS

IR

Vibrations