Geometry & MOs

Info

ID:	224649
PubChem CID:	85345608
Reduced:	O3C19H32 (1)
Stoich.:	A3B19C32 (1)
Weight, g/mol:	309.132471
ΔH_f, kcal/mol:	-172.33
Dipole, Da:	5.04
IP(EA), eV:	-8.99(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(CC1)C(C)CCCC(=O)C)COC2CCCCO2

DOS

IR

Vibrations