Geometry & MOs

Info

ID:	337605
PubChem CID:	127258228
Reduced:	ClNO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	489.215138
ΔH_f, kcal/mol:	-213.57
Dipole, Da:	4.23
IP(EA), eV:	-10.12(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(3-benzhydrylphenoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)O.Cl

DOS

IR

Vibrations