Geometry & MOs

Info

ID:

398536

PubChem CID:

135033700

Reduced:

N2O4C14H19 (2)

Stoich.:

A2B4C14D19 (2)

Weight, g/mol:

424.218219

ΔHf, kcal/mol:

-326.23

Dipole, Da:

2.95

IP(EA), eV:

 -8.83(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,9R,12E)-12-ethylidene-18-(trimethylsilyloxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.09,14]octadeca-2,4,6,17-tetraene-8-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)O)C(=O)OC[C@@]2([C@@H]([C@H]([C@@]([C@]2(C)O)([C@@H](C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O

DOS

IR

Vibrations