Geometry & MOs

Info

ID:	147475
PubChem CID:	53787131
Reduced:	ClNSO3C6H6 (1)
Stoich.:	ABCD3E6F6 (1)
Weight, g/mol:	230.134051
ΔH_f, kcal/mol:	-105.94
Dipole, Da:	3.3
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S)-2,2-dimethyl-3-(2-methylpropylsulfanylmethyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NS(=O)(=O)O)Cl

DOS

IR

Vibrations