Geometry & MOs

Info

ID:	218516
PubChem CID:	85089557
Reduced:	NO6C28H29 (1)
Stoich.:	AB6C28D29 (1)
Weight, g/mol:	475.221954
ΔH_f, kcal/mol:	-146.07
Dipole, Da:	2.45
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(C(O2)C(COCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations