Geometry & MOs

Info

ID:	37028
PubChem CID:	8016279
Reduced:	NO7C21H22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	386.182829
ΔH_f, kcal/mol:	-220.71
Dipole, Da:	7.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.930620
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]propanoate

Drug info:

PubChemData

Smile

CC1(CCC2=C3C(=C(C=C2O1)OCC(=O)NCC(=O)[O-])C4=C(CCC4)C(=O)O3)C

DOS

IR

Vibrations