Geometry & MOs

Info

ID:	265328
PubChem CID:	103517334
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	222.09258
ΔH_f, kcal/mol:	-156.22
Dipole, Da:	3.96
IP(EA), eV:	-9.69(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-pentylsulfonylpropanoate

Drug info:

PubChemData

Smile

CC(=CCNC(=O)CC(C)(C)C(=O)O)C

DOS

IR

Vibrations