Geometry & MOs

Info

ID:

168350

PubChem CID:

74956476

Reduced:

NO8C17H21 (3)

Stoich.:

AB8C17D21 (3)

Weight, g/mol:

448.165266

ΔHf, kcal/mol:

-1036.68

Dipole, Da:

5.64

IP(EA), eV:

 -8.92(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-chloro-8-(3-hydroxybutan-2-yl)-6a-methyl-3-(3-methylpent-1-enyl)-6-oxo-9aH-furo[2,3-h]isochromene-9-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OCCNC(=O)CC(C(=O)NCCOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations