Geometry & MOs

Info

ID:	49664
PubChem CID:	11533494
Reduced:	OF3N4H27C29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	504.146741
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	4.03
IP(EA), eV:	-8.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[(2,2-diphenylacetyl)amino]propylsulfanyl]-5-nitrobenzimidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCC3=C(C(=C(C=C3)F)F)F)N)C4=CC=CC=C4

DOS

IR

Vibrations