Geometry & MOs

Info

ID:	187778
PubChem CID:	77622164
Reduced:	FSN2O6H29C32 (1)
Stoich.:	ABC2D6E29F32 (1)
Weight, g/mol:	584.198108
ΔH_f, kcal/mol:	-206.85
Dipole, Da:	4.41
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[[1-[4-(2,5-dimethylphenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carbonyl]amino]ethoxy]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)OCCNC(=O)C2CC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C5=C(C=C(C=C5)F)C

DOS

IR

Vibrations