Geometry & MOs

Info

ID:	15221
PubChem CID:	433634
Reduced:	N3O6C19H23 (1)
Stoich.:	A3B6C19D23 (1)
Weight, g/mol:	389.158685
ΔH_f, kcal/mol:	-228.15
Dipole, Da:	3.29
IP(EA), eV:	-9.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations