Geometry & MOs

Info

ID:	266479
PubChem CID:	103567372
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	5.45
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(3-methoxycyclohexyl)oxybenzenecarbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations