Geometry & MOs

Info

ID:	12055
PubChem CID:	128405
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	-158.93
Dipole, Da:	3.37
IP(EA), eV:	-9.37(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-aminoacetyl)amino]-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)N[C@@H](CO)C(=O)N)NC(=O)CN

DOS

IR

Vibrations