Geometry & MOs

Info

ID:	271789
PubChem CID:	103691878
Reduced:	NO4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	6.18
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(cyanomethyl)cyclopropyl]methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations