Geometry & MOs

Info

ID:

423977

PubChem CID:

135120919

Reduced:

O5N6C37H48 (1)

Stoich.:

A5B6C37D48 (1)

Weight, g/mol:

549.306353

ΔHf, kcal/mol:

-203.59

Dipole, Da:

7.13

IP(EA), eV:

 -8.14(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-[[6-(dimethylamino)pyridin-3-yl]methyl]-20-methoxy-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

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CC3=C(NC4=C(C=CC(=C34)C)C)C)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations