Geometry & MOs

Info

ID:	173447
PubChem CID:	75639580
Reduced:	ClOSN6C24H27 (1)
Stoich.:	ABCD6E24F27 (1)
Weight, g/mol:	441.039984
ΔH_f, kcal/mol:	59.4
Dipole, Da:	5.95
IP(EA), eV:	-8.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-5-(difluoromethyl)-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C2C(C(=NC3=NC(=NN23)SCC4=CC=CC=C4Cl)C)C(=O)N

DOS

IR

Vibrations