Geometry & MOs

Info

ID:	235689
PubChem CID:	92710422
Reduced:	SN3O4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-141.05
Dipole, Da:	2.33
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(pyridin-3-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations