Geometry & MOs

Info

ID:	213162
PubChem CID:	81063098
Reduced:	ClNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	233.181336
ΔH_f, kcal/mol:	-137.99
Dipole, Da:	2.47
IP(EA), eV:	-9.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]pentane-1-thiol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCl)S(=O)(=O)N(C)CCOC(C)C

DOS

IR

Vibrations