Geometry & MOs

Info

ID:	166229
PubChem CID:	74653418
Reduced:	NO7H17C20 (1)
Stoich.:	AB7C17D20 (1)
Weight, g/mol:	415.054815
ΔH_f, kcal/mol:	-124.21
Dipole, Da:	8.22
IP(EA), eV:	-8.91(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations