Geometry & MOs

Info

ID:

169489

PubChem CID:

75110760

Reduced:

N11O12C63H113 (1)

Stoich.:

A11B12C63D113 (1)

Weight, g/mol:

444.214803

ΔHf, kcal/mol:

-635.92

Dipole, Da:

7.48

IP(EA), eV:

 -9.02(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(2-hydroxypropan-2-yl)-10-methoxy-1,4,14-trimethyl-2,7,18-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione

Drug info:

PubChemData

Smile

CC=CC(C)C(C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)CC(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C)O

DOS

IR

Vibrations