Geometry & MOs

Info

ID:	426643
PubChem CID:	135153096
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	352.13872
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	7.88
IP(EA), eV:	-8.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-1-(4-methoxyquinolin-2-yl)-3,3-dimethylisoquinoline

Drug info:

PubChemData

Smile

CC1(C2=C(C(=C(C=O)C=O)NC1(C)C)SC=C2)C

DOS

IR

Vibrations