Geometry & MOs

Info

ID:	36853
PubChem CID:	8013785
Reduced:	ClFNO6C19H19 (1)
Stoich.:	ABCD6E19F19 (1)
Weight, g/mol:	379.146681
ΔH_f, kcal/mol:	-252.8
Dipole, Da:	2.77
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CC(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations