Geometry & MOs

Info

ID:	52708
PubChem CID:	12015741
Reduced:	N3O7H21C27 (1)
Stoich.:	A3B7C21D27 (1)
Weight, g/mol:	334.07936
ΔH_f, kcal/mol:	-181.99
Dipole, Da:	9.85
IP(EA), eV:	-9.29(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CCN6C(=O)C=CC6=O

DOS

IR

Vibrations