Geometry & MOs

Info

ID:	165523
PubChem CID:	74561232
Reduced:	SF3N3O4H10C20 (1)
Stoich.:	AB3C3D4E10F20 (1)
Weight, g/mol:	525.285223
ΔH_f, kcal/mol:	-159.45
Dipole, Da:	15.88
IP(EA), eV:	-8.86(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-cyclohexyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-6,8-dimethylquinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C(=NC(=NC4=CC=CC=C4C(F)(F)F)S3)[O-])C(=O)N2CC(=O)[O-]

DOS

IR

Vibrations