Geometry & MOs

Info

ID:	266481
PubChem CID:	103567393
Reduced:	FNSO2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	308.038627
ΔH_f, kcal/mol:	-94.86
Dipole, Da:	5.32
IP(EA), eV:	-8.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloropyridin-4-yl)methoxy]-5-methoxybenzenecarbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=S)N)OCCF

DOS

IR

Vibrations