Geometry & MOs

Info

ID:	79397
PubChem CID:	49748461
Reduced:	FSN3O5H26C27 (1)
Stoich.:	ABC3D5E26F27 (1)
Weight, g/mol:	526.143467
ΔH_f, kcal/mol:	-185.12
Dipole, Da:	1.24
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(CCCN4S(=O)(=O)C5=CC=C(C=C5)F)C=C3

DOS

IR

Vibrations