Geometry & MOs

Info

ID:	37023
PubChem CID:	8016228
Reduced:	NO6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	406.151529
ΔH_f, kcal/mol:	-225.17
Dipole, Da:	6.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760944
Charge, e:	-1

Chem-info

IUPAC name:

2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](C(C)C)C(=O)[O-])C)C3=C1C(=CO3)C

DOS

IR

Vibrations