Geometry & MOs

Info

ID:	286222
PubChem CID:	104162747
Reduced:	NSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	9.02
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)C(=O)O)C(=O)CC3=CC=CS3

DOS

IR

Vibrations