Geometry & MOs

Info

ID:	30967
PubChem CID:	854012
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	299.0286
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	3.79
IP(EA), eV:	-8.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 3-methyl-5-thiocyanatothiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations