Geometry & MOs

Info

ID:	385550
PubChem CID:	134979384
Reduced:	SiO2C25H34 (1)
Stoich.:	AB2C25D34 (1)
Weight, g/mol:	347.100502
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	2.84
IP(EA), eV:	-8.83(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-1-acetyl-2-methoxycarbonylcyclohex-3-en-1-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](CCC1=CC=CC=C1)C=C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations