Geometry & MOs

Info

ID:	286225
PubChem CID:	104162871
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	299.082744
ΔH_f, kcal/mol:	-147.35
Dipole, Da:	7.45
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypropylsulfonyl)-2,3-dihydroindole-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)N1CCC2=C1C=C(C=C2)C(=O)O

DOS

IR

Vibrations