Geometry & MOs

Info

ID:	385925
PubChem CID:	134980331
Reduced:	PO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	347.100502
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	4.12
IP(EA), eV:	-9.89(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC(=CC[C@@H]1C=O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations