Geometry & MOs

Info

ID:	144170
PubChem CID:	53326315
Reduced:	FSN2O2H23C26 (1)
Stoich.:	ABC2D2E23F26 (1)
Weight, g/mol:	464.184841
ΔH_f, kcal/mol:	-27.46
Dipole, Da:	0.86
IP(EA), eV:	-8.93(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)S(=O)C

DOS

IR

Vibrations