Geometry & MOs

Info

ID:	444706
PubChem CID:	135263292
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	2.29
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methylsulfonylethyl)-1H-indol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)C(=CN4)C=O)N5CCCCC5

DOS

IR

Vibrations