Geometry & MOs

Info

ID:	235746
PubChem CID:	92710541
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	5.29
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-(2,5-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations