Geometry & MOs

Info

ID:	62606
PubChem CID:	26725263
Reduced:	SN2O8H22C23 (1)
Stoich.:	AB2C8D22E23 (1)
Weight, g/mol:	457.119523
ΔH_f, kcal/mol:	-175.93
Dipole, Da:	5.17
IP(EA), eV:	-8.24(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations