Geometry & MOs

Info

ID:	272616
PubChem CID:	103750153
Reduced:	NO5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	335.173273
ΔH_f, kcal/mol:	-124.67
Dipole, Da:	3.83
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-methoxy-2-[phenylmethoxycarbonyl(propan-2-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

COCC(C1CC1)(C(=O)O)N(C2CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations