Geometry & MOs

Info

ID:	288499
PubChem CID:	104317801
Reduced:	OSN2C10H20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	204.129634
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	2.7
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxybutyl(propan-2-yl)amino]ethanethioamide

Drug info:

PubChemData

Smile

CC(CCN1CCCC(C1)C(=S)N)O

DOS

IR

Vibrations