Geometry & MOs

Info

ID:	221343
PubChem CID:	85267789
Reduced:	O7C22H30 (1)
Stoich.:	A7B22C30 (1)
Weight, g/mol:	406.1021
ΔH_f, kcal/mol:	-280.58
Dipole, Da:	7.61
IP(EA), eV:	-9.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-hydroxy-3-methoxy-4-methyl-7-[2-(2-prop-1-en-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate

Drug info:

PubChemData

Smile

CC(CCCCC(C)O)C=C(C)C=CC(=O)OC1C=CC(=O)OC1C=CC(=O)O

DOS

IR

Vibrations