Geometry & MOs

Info

ID:	302434
PubChem CID:	124361738
Reduced:	N5O6C24H25 (1)
Stoich.:	A5B6C24D25 (1)
Weight, g/mol:	479.180484
ΔH_f, kcal/mol:	-178.06
Dipole, Da:	6.77
IP(EA), eV:	-8.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=NC3=CC=CC=C3N21)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations