Geometry & MOs

Info

ID:	160276
PubChem CID:	57309622
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	345.06153
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	5.47
IP(EA), eV:	-8.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R,4S,6S,10R)-10-[acetyl(chloro)carbamoyl]oxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)CC(CO)C1=CC=C(C=C1)OC

DOS

IR

Vibrations