Geometry & MOs

Info

ID:	190132
PubChem CID:	77959352
Reduced:	ClFN2S2O4H14C15 (1)
Stoich.:	ABC2D2E4F14G15 (1)
Weight, g/mol:	484.201159
ΔH_f, kcal/mol:	-156.69
Dipole, Da:	5.01
IP(EA), eV:	-8.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(4-cyanophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methyl-2-oxoquinolin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)Cl)N(C2=C(C(=CC=C2)F)S(=O)(=O)N)S(=O)O

DOS

IR

Vibrations