Geometry & MOs

Info

ID:	216148
PubChem CID:	85085798
Reduced:	SN2O2C10H18 (1)
Stoich.:	AB2C2D10E18 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	4.71
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylidene-4-ethoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC1CN(C(=S)NC1=O)COC(C)C

DOS

IR

Vibrations