Geometry & MOs

Info

ID:	266478
PubChem CID:	103567348
Reduced:	NSCl2O2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-36.59
Dipole, Da:	4.32
IP(EA), eV:	-8.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxypropoxy)-5-methoxybenzenecarbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=S)N)OCC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations