Geometry & MOs

Info

ID:	404032
PubChem CID:	135064644
Reduced:	NO4C27H27 (1)
Stoich.:	AB4C27D27 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-120.54
Dipole, Da:	2.23
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S,3R)-3-hydroxy-2-methoxy-5-(4-methylphenyl)pent-4-enoate

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)OCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations