Geometry & MOs

Info

ID:

138218

PubChem CID:

52329188

Reduced:

N2O5C22H26 (1)

Stoich.:

A2B5C22D26 (1)

Weight, g/mol:

472.11246

ΔHf, kcal/mol:

-150.26

Dipole, Da:

7.95

IP(EA), eV:

 -8.35(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,10S,11R)-9-(3-chlorophenyl)-11-(4-methylphenyl)-14-methylsulfanyl-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,13,15-hexaene

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations