Geometry & MOs

Info

ID:	167985
PubChem CID:	74909301
Reduced:	SN3O3H23C25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	504.156637
ΔH_f, kcal/mol:	-7.49
Dipole, Da:	3.95
IP(EA), eV:	-8.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-ethyl 3-O-methyl 2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C=CC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations