Geometry & MOs

Info

ID:	179449
PubChem CID:	76485090
Reduced:	N5O7C31H47 (1)
Stoich.:	A5B7C31D47 (1)
Weight, g/mol:	368.256274
ΔH_f, kcal/mol:	-311.74
Dipole, Da:	6.01
IP(EA), eV:	-9.21(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dihydroxy-5-(4-oct-1-enyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC(=O)C(C(C)C)C(C(C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)COC2=CC=CC=C2)O)O

DOS

IR

Vibrations