Geometry & MOs

Info

ID:	284983
PubChem CID:	104087811
Reduced:	NS2O4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	219.165686
ΔH_f, kcal/mol:	-88.47
Dipole, Da:	3.59
IP(EA), eV:	-9.13(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(ethylamino)-3,3-dimethylbutyl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SC1=C(C=C(S1)C(C)O)[N+](=O)[O-]

DOS

IR

Vibrations