Geometry & MOs

Info

ID:	49368
PubChem CID:	11532926
Reduced:	NOH7C10 (3)
Stoich.:	ABC7D10 (3)
Weight, g/mol:	471.204573
ΔH_f, kcal/mol:	25.55
Dipole, Da:	9.12
IP(EA), eV:	-9.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[3-[[6-methoxy-2-methyl-3-(4-methylbenzoyl)indol-1-yl]methyl]phenyl]methoxy]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CC2=CC(=CC=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations