Geometry & MOs

Info

ID:	160221
PubChem CID:	57309567
Reduced:	N3O8C24H29 (1)
Stoich.:	A3B8C24D29 (1)
Weight, g/mol:	292.203845
ΔH_f, kcal/mol:	-323.21
Dipole, Da:	6.11
IP(EA), eV:	-9.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,5R,6aS)-4-(4,4-dimethyl-3-oxooct-1-enyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)N)NC(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations