Geometry & MOs

Info

ID:	183827
PubChem CID:	77074725
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	146.040151
ΔH_f, kcal/mol:	-86.12
Dipole, Da:	6.68
IP(EA), eV:	-8.82(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-methylsulfanylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CCN1CCN(CC1)C2=CC=C(C=C2)OC)C(=O)O

DOS

IR

Vibrations