Geometry & MOs

Info

ID:	30034
PubChem CID:	839012
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	290.036128
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	5.31
IP(EA), eV:	-8.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-5-(2,5-dioxopyrrol-1-yl)-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C3CC[C@H](CC3=C2)C(C)(C)C)N

DOS

IR

Vibrations