Geometry & MOs

Info

ID:

84012

PubChem CID:

49863246

Reduced:

SCl3O4N5C34H42 (1)

Stoich.:

AB3C4D5E34F42 (1)

Weight, g/mol:

379.114376

ΔHf, kcal/mol:

-165.08

Dipole, Da:

2.23

IP(EA), eV:

 -8.64(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1R,2R,6S,7S)-1,7-dimethyl-3,5-dioxo-11-oxa-4,9-diazatricyclo[5.3.1.02,6]undecan-4-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2(CCN(CC2)C(=O)C3=CC(=C(N3CCCNS(=O)(=O)C)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl)C(=O)N)C

DOS

IR

Vibrations