Geometry & MOs

Info

ID:	151477
PubChem CID:	53812486
Reduced:	NSO4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	384.103145
ΔH_f, kcal/mol:	-152.92
Dipole, Da:	4.35
IP(EA), eV:	-9.83(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)CCNC(=O)O

DOS

IR

Vibrations