Geometry & MOs

Info

ID:	266470
PubChem CID:	103567215
Reduced:	NSO3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	5.27
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(2-methoxyethoxy)benzenecarbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=S)N)OCC2=CC=C(C=C2)O

DOS

IR

Vibrations