Geometry & MOs

Info

ID:	17273
PubChem CID:	491133
Reduced:	N4O5C30H30 (1)
Stoich.:	A4B5C30D30 (1)
Weight, g/mol:	526.22162
ΔH_f, kcal/mol:	-101.01
Dipole, Da:	11.38
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]ethyl]-1H-indol-5-yl]oxy]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCCC4=CNC5=C4C=C(C=C5)OCC(=O)O)N=C2C6=COC=C6

DOS

IR

Vibrations