Geometry & MOs

Info

ID:	266473
PubChem CID:	103567316
Reduced:	ClNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	301.11365
ΔH_f, kcal/mol:	-28.76
Dipole, Da:	5.45
IP(EA), eV:	-8.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(3-phenylpropoxy)benzenecarbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations