Geometry & MOs

Info

ID:

395710

PubChem CID:

135026292

Reduced:

O4H11C24 (2)

Stoich.:

A4B11C24 (2)

Weight, g/mol:

377.177964

ΔHf, kcal/mol:

8.57

Dipole, Da:

1.38

IP(EA), eV:

 -9.49(-2.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,14R)-17,18-dimethyl-10-phenyl-21-oxa-9-azapentacyclo[12.6.1.02,12.03,8.015,20]henicosa-3,5,7,9,11,15(20),16,18-octaene

Drug info:

PubChemData

Smile

C1=CC=C2C3C4=C([C@@H](C2=C1)C5=C3C(=O)C6=C(C5=O)C7C8=C(C6C9=C7C(=O)C=CC9=O)C(=O)C=CC8=O)C(=O)C1=C(C4=O)C2C3=CC=CC=C3C1C1=CC=CC=C21

DOS

IR

Vibrations