Geometry & MOs

Info

ID:	235775
PubChem CID:	92710594
Reduced:	SN4O5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	487.141321
ΔH_f, kcal/mol:	-149.46
Dipole, Da:	9.64
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations