Geometry & MOs

Info

ID:	58441
PubChem CID:	24701459
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	244.067034
ΔH_f, kcal/mol:	-15.79
Dipole, Da:	6.12
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyridin-4-ylmethoxy)benzenecarbothioamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC(=CC=C2)C(=S)N)C(=O)N

DOS

IR

Vibrations