Geometry & MOs

Info

ID:	432802
PubChem CID:	135172939
Reduced:	O3N6C21H22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	365.158685
ΔH_f, kcal/mol:	23.17
Dipole, Da:	37.52
IP(EA), eV:	-7.68(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[methyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)NC3=CC=C(C=C3)NC(=O)CCC(=O)[O-])C

DOS

IR

Vibrations