Geometry & MOs

Info

ID:	33078
PubChem CID:	7850892
Reduced:	NO2H21C22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	3.34
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)NC(=O)COC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations