Geometry & MOs

Info

ID:	282362
PubChem CID:	103923443
Reduced:	NSO3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	287.111063
ΔH_f, kcal/mol:	-112.43
Dipole, Da:	2.52
IP(EA), eV:	-8.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(OC=C1)C(=O)OC)SC

DOS

IR

Vibrations