Geometry & MOs

Info

ID:

421610

PubChem CID:

135116298

Reduced:

N2O4C23H32 (1)

Stoich.:

A2B4C23D32 (1)

Weight, g/mol:

547.279469

ΔHf, kcal/mol:

-177.5

Dipole, Da:

5.84

IP(EA), eV:

 -9.02(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-15-[2-(2-methylphenyl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)N3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations