Geometry & MOs

Info

ID:	52696
PubChem CID:	12015710
Reduced:	O5C10H16 (1)
Stoich.:	A5B10C16 (1)
Weight, g/mol:	422.1334
ΔH_f, kcal/mol:	-189.52
Dipole, Da:	5.47
IP(EA), eV:	-9.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,4R,6E)-3,5-dimethoxy-4-methyl-7-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate

Drug info:

PubChemData

Smile

C[C@H](C(C=O)OC)/C(=C/C(=O)OC)/OC

DOS

IR

Vibrations