Geometry & MOs

Info

ID:	46250
PubChem CID:	10523502
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	375.101989
ΔH_f, kcal/mol:	-81.72
Dipole, Da:	7.81
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3Z)-6-fluoro-2-methyl-3-[[4-(trideuteriomethylsulfonyl)phenyl]methylidene]inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations