Geometry & MOs

Info

ID:	236836
PubChem CID:	92714935
Reduced:	SCl2O2N4C16H20 (1)
Stoich.:	AB2C2D4E16F20 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-71.05
Dipole, Da:	4.32
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-methyl-5-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(C(=N1)SC[C@H]3CC3(Cl)Cl)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations