Geometry & MOs

Info

ID:

322616

PubChem CID:

126670661

Reduced:

O4N9C32H39 (1)

Stoich.:

A4B9C32D39 (1)

Weight, g/mol:

562.273262

ΔHf, kcal/mol:

-39.3

Dipole, Da:

7.6

IP(EA), eV:

 -8.32(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5S)-9-tert-butyl-4-methyl-6-(9-pyridin-2-ylcarbazol-2-yl)oxy-1,16-diazapentacyclo[9.6.1.02,5.07,18.012,17]octadeca-7,9,11(18),12(17),13,15-hexaene

Drug info:

PubChemData

Smile

CC(=CCN1C2=C(C=CC(=C2)C(=O)N)N(C1=O)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC)C

DOS

IR

Vibrations