Geometry & MOs

Info

ID:	364113
PubChem CID:	127314059
Reduced:	SN4O4C18H20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	362.08489
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	4.48
IP(EA), eV:	-9.71(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylsulfonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations