Geometry & MOs

Info

ID:	188812
PubChem CID:	77769791
Reduced:	NPO5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	286.10842
ΔH_f, kcal/mol:	-228.49
Dipole, Da:	6.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753713
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[(2-aminoacetyl)amino]-2-methylpropanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CCC1=CC=CC=C1)C[P+](=O)CO

DOS

IR

Vibrations