Geometry & MOs

Info

ID:	381237
PubChem CID:	134971905
Reduced:	O5C23H32 (1)
Stoich.:	A5B23C32 (1)
Weight, g/mol:	401.238851
ΔH_f, kcal/mol:	-227.97
Dipole, Da:	5.52
IP(EA), eV:	-9.13(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3E,5S,6E)-2-benzyl-5-propan-2-yl-7-[(4R)-2,2,3-trimethyl-1,3-thiazolidin-4-yl]hepta-3,6-dienoate

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/C1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)O)O)O

DOS

IR

Vibrations