Geometry & MOs

Info

ID:	205934
PubChem CID:	80179435
Reduced:	N2O2S2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-38.13
Dipole, Da:	6.9
IP(EA), eV:	-8.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-[(2-methyloxolan-2-yl)methylamino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)N

DOS

IR

Vibrations