Geometry & MOs

Info

ID:	235741
PubChem CID:	92710533
Reduced:	SN4O4C20H30 (1)
Stoich.:	AB4C4D20E30 (1)
Weight, g/mol:	445.147156
ΔH_f, kcal/mol:	-162.62
Dipole, Da:	2.36
IP(EA), eV:	-9.11(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(2-fluorophenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCCN(C)C

DOS

IR

Vibrations