Geometry & MOs

Info

ID:	179511
PubChem CID:	76491505
Reduced:	FNO4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-209.44
Dipole, Da:	1.7
IP(EA), eV:	-8.83(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-2-oxo-3-(4,5,6,7-tetrahydro-3aH-benzimidazol-2-ylmethylidene)-1H-indol-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1(OCC(O1)C2C(C(=O)N2CC3=CC=C(C=C3)OC)C(C)F)C

DOS

IR

Vibrations