Geometry & MOs

Info

ID:	178588
PubChem CID:	76353299
Reduced:	SN2O4C26H28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	474.193691
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	3.25
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylindol-4-yl)-6-morpholin-4-ylsulfonyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)C=CC2=CC(=CC=C2)OCC3=CSC(=N3)C

DOS

IR

Vibrations