Geometry & MOs

Info

ID:

191415

PubChem CID:

78144652

Reduced:

O15N17C82H129 (1)

Stoich.:

A15B17C82D129 (1)

Weight, g/mol:

414.204239

ΔHf, kcal/mol:

-720.75

Dipole, Da:

10.09

IP(EA), eV:

 -8.58(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1,5a-dihydroxy-6,6,9a-trimethyl-3,5,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-9-yl) 3-(4-hydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCNC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)OCC=C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations