Geometry & MOs

Info

ID:	160418
PubChem CID:	57309766
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	194.024895
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	2.83
IP(EA), eV:	-9.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-sulfopent-2-enoic acid

Drug info:

PubChemData

Smile

CC(NCC1=CN=CC=C1)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations