Geometry & MOs

Info

ID:

416700

PubChem CID:

135090129

Reduced:

FON5C19H22 (1)

Stoich.:

ABC5D19E22 (1)

Weight, g/mol:

511.279469

ΔHf, kcal/mol:

-4.18

Dipole, Da:

3.32

IP(EA), eV:

 -8.89(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-(cyclopentanecarbonyl)-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

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=C(NN=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations