Geometry & MOs

Info

ID:	341991
PubChem CID:	127264684
Reduced:	ClNOC7H16 (1)
Stoich.:	ABCD7E16 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-107.85
Dipole, Da:	6.29
IP(EA), eV:	-10.41(1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methyl-2-methylsulfonylpent-4-enoate

Drug info:

PubChemData

Smile

C1CCC(C1)[C@@H](CO)N.Cl

DOS

IR

Vibrations