Geometry & MOs

Info

ID:	266474
PubChem CID:	103567317
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	4.0
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(oxolan-2-ylmethoxy)benzenecarbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=S)N)OCCCC2=CC=CC=C2

DOS

IR

Vibrations