Geometry & MOs

Info

ID:	262338
PubChem CID:	103286209
Reduced:	NSCl2O4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	202.139137
ΔH_f, kcal/mol:	-171.79
Dipole, Da:	4.81
IP(EA), eV:	-10.1(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylpentoxymethyl)cyclopropyl]methanethiol

Drug info:

PubChemData

Smile

CCCC(C)COC(=O)C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)N

DOS

IR

Vibrations