Geometry & MOs

Info

ID:	301528
PubChem CID:	123084491
Reduced:	ClFSO2N4H18C19 (1)
Stoich.:	ABCD2E4F18G19 (1)
Weight, g/mol:	392.051003
ΔH_f, kcal/mol:	0.85
Dipole, Da:	7.46
IP(EA), eV:	-8.71(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C/C(=C\NN2C(=NN=C2SCC3=C(C=CC=C3Cl)F)C)/C1=O

DOS

IR

Vibrations