Geometry & MOs

Info

ID:	269061
PubChem CID:	103609416
Reduced:	ClNSO2C7H16 (1)
Stoich.:	ABCD2E7F16 (1)
Weight, g/mol:	252.118401
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	4.12
IP(EA), eV:	-10.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-methylbutylsulfanylmethyl)benzoate

Drug info:

PubChemData

Smile

CCC(C)(C)NS(=O)(=O)CCCl

DOS

IR

Vibrations