Geometry & MOs

Info

ID:	188081
PubChem CID:	77666430
Reduced:	N2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	417.19738
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	1.77
IP(EA), eV:	-8.3(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione

Drug info:

PubChemData

Smile

CCC#CC1=CC=C(N1C)CCC(C)(CO)N.C1=CC2=CC2=C1.C(=O)(C(=O)O)O

DOS

IR

Vibrations