Geometry & MOs

Info

ID:	301529
PubChem CID:	123084513
Reduced:	ClFSO2N4H14C17 (1)
Stoich.:	ABCD2E4F14G17 (1)
Weight, g/mol:	510.129253
ΔH_f, kcal/mol:	3.85
Dipole, Da:	3.02
IP(EA), eV:	-9.02(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methanimine

Drug info:

PubChemData

Smile

CC1=NN=C(N1N/C=C/2\C=CC(=O)C(=C2)O)SCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations