Geometry & MOs

Info

ID:

138211

PubChem CID:

52328555

Reduced:

FSO2N3H20C22 (1)

Stoich.:

ABC2D3E20F22 (1)

Weight, g/mol:

464.060695

ΔHf, kcal/mol:

-41.92

Dipole, Da:

2.96

IP(EA), eV:

 -8.79(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,10R,11R)-4-chloro-9-(2-chlorophenyl)-11-(2-fluorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),3,5,13,15-hexaene

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C[C@H]([C@H]2C#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations