Geometry & MOs

Info

ID:	44119
PubChem CID:	10500850
Reduced:	OH13C14 (2)
Stoich.:	AB13C14 (2)
Weight, g/mol:	394.181395
ΔH_f, kcal/mol:	47.6
Dipole, Da:	3.05
IP(EA), eV:	-8.64(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 5-O-ethyl (E,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethylpent-2-enedioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(C=CC=C2)C3C=CC=CC(=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations