Geometry & MOs

Info

ID:	288500
PubChem CID:	104317804
Reduced:	OSN2C9H20 (1)
Stoich.:	ABC2D9E20 (1)
Weight, g/mol:	259.043378
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	7.67
IP(EA), eV:	-8.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(3-hydroxybutoxy)benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)N(CCC(C)O)CC(=S)N

DOS

IR

Vibrations