Geometry & MOs

Info

ID:	266482
PubChem CID:	103567422
Reduced:	ClSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	325.065176
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	3.93
IP(EA), eV:	-8.77(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-2,5-dimethylpyrazol-3-yl)methoxy]-5-methoxybenzenecarbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=S)N)OCC2=C(C=NC=C2)Cl

DOS

IR

Vibrations