Geometry & MOs

Info

ID:	245985
PubChem CID:	103033566
Reduced:	N2O2C13H28 (1)
Stoich.:	A2B2C13D28 (1)
Weight, g/mol:	252.103145
ΔH_f, kcal/mol:	-139.5
Dipole, Da:	5.1
IP(EA), eV:	-9.21(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-3-methylbutyl)sulfonyl-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CCNCCC(C)(C)OC

DOS

IR

Vibrations