Geometry & MOs

Info

ID:	180665
PubChem CID:	76665670
Reduced:	ON5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	500.220575
ΔH_f, kcal/mol:	-8.61
Dipole, Da:	9.34
IP(EA), eV:	-7.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(4-morpholin-4-ylanilino)-8-oxo-2,3,4,4a,5,6,7,8a-octahydro-1H-2,7-naphthyridin-3-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C2CC3CCNC(=O)C3C(N2)NC4=CC=C(C=C4)C5CCNCC5

DOS

IR

Vibrations