Geometry & MOs

Info

ID:	122264
PubChem CID:	50800410
Reduced:	NOSH7C8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	352.133554
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	7.4
IP(EA), eV:	-8.53(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)S3)CC=C

DOS

IR

Vibrations