Geometry & MOs

Info

ID:	151421
PubChem CID:	53801241
Reduced:	FNCl2O2C3H4 (1)
Stoich.:	ABC2D2E3F4 (1)
Weight, g/mol:	482.094617
ΔH_f, kcal/mol:	-112.38
Dipole, Da:	1.78
IP(EA), eV:	-10.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[4-(3,5-dichlorophenyl)piperazine-1-carbothioyl]amino]-2-ethyl-6-methoxypyridine-3-carboxylate

Drug info:

PubChemData

Smile

C(C(F)(Cl)Cl)ONC=O

DOS

IR

Vibrations