Geometry & MOs

Info

ID:	62610
PubChem CID:	26725273
Reduced:	SN2O7C24H26 (1)
Stoich.:	AB2C7D24E26 (1)
Weight, g/mol:	466.119858
ΔH_f, kcal/mol:	-212.0
Dipole, Da:	4.75
IP(EA), eV:	-8.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-cyanobenzoyl)amino]-5-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)NC2=C(SC(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC

DOS

IR

Vibrations