Geometry & MOs

Info

ID:	194288
PubChem CID:	78510658
Reduced:	NSO6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	390.11371
ΔH_f, kcal/mol:	-179.86
Dipole, Da:	6.69
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC(=O)NCCC2=CC=CS2

DOS

IR

Vibrations