Geometry & MOs

Info

ID:	12054
PubChem CID:	128404
Reduced:	ClN4O4C14H21 (1)
Stoich.:	AB4C4D14E21 (1)
Weight, g/mol:	344.125133
ΔH_f, kcal/mol:	-201.67
Dipole, Da:	0.65
IP(EA), eV:	-9.73(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations