Geometry & MOs

Info

ID:	129014
PubChem CID:	51066542
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	400.140114
ΔH_f, kcal/mol:	-38.37
Dipole, Da:	6.08
IP(EA), eV:	-8.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-amino-2-[(2-chlorophenyl)methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CN2C3=CC4=C[C@@H]5CC(=C3)N4CC5=O)C(=O)O

DOS

IR

Vibrations