Geometry & MOs

Info

ID:	37029
PubChem CID:	8016281
Reduced:	O4N5C19H24 (1)
Stoich.:	A4B5C19D24 (1)
Weight, g/mol:	400.198479
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	5.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757123
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)[O-])NC(=O)CCCCCNC(=O)N1CCN2C1=NC3=CC=CC=C32

DOS

IR

Vibrations