Geometry & MOs

Info

ID:	302435
PubChem CID:	124361739
Reduced:	N5O6C24H25 (1)
Stoich.:	A5B6C24D25 (1)
Weight, g/mol:	405.147075
ΔH_f, kcal/mol:	-178.46
Dipole, Da:	7.9
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic 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