Geometry & MOs

Info

ID:

191449

PubChem CID:

78148111

Reduced:

ON4C22H28 (1)

Stoich.:

AB4C22D28 (1)

Weight, g/mol:

525.0068

ΔHf, kcal/mol:

-6.25

Dipole, Da:

7.65

IP(EA), eV:

 -9.05(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-bromo-9-ethyl-12-phenyl-15-oxa-11,14lambda6-dithia-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-2(10),3,5,7,16(21),17,19-heptaene 14,14-dioxide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C5=C(C=NC=C5)C#N

DOS

IR

Vibrations