Geometry & MOs

Info

ID:	393344
PubChem CID:	135020210
Reduced:	SiO2C27H36 (1)
Stoich.:	AB2C27D36 (1)
Weight, g/mol:	324.157288
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	1.24
IP(EA), eV:	-9.06(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,6R)-2-acetyl-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-6-methylhept-2-en-4-ynoate

Drug info:

PubChemData

Smile

CC(C1C2CCC(C1CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C=C2)O

DOS

IR

Vibrations