Geometry & MOs

Info

ID:	429922
PubChem CID:	135169977
Reduced:	ClSF2N7H22C23 (1)
Stoich.:	ABC2D7E22F23 (1)
Weight, g/mol:	515.135129
ΔH_f, kcal/mol:	84.79
Dipole, Da:	6.79
IP(EA), eV:	-8.37(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[amino-[(Z)-2-aminoethenyl]amino]-3-methylsulfinylphenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C(=C)N1N=CC=N1)\Cl)/NC(=C)/C(=C/N)/C(=NC2=CN=CC3=C2C=CS3)C(C)(F)F

DOS

IR

Vibrations