Geometry & MOs

Info

ID:	177861
PubChem CID:	76245759
Reduced:	F2N3O3C20H20 (1)
Stoich.:	A2B3C3D20E20 (1)
Weight, g/mol:	503.245392
ΔH_f, kcal/mol:	-164.64
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.057407
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2C=CC=CC2=[N+](C1=O)CC(=O)N(C)CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations