Geometry & MOs

Info

ID:

297388

PubChem CID:

117616657

Reduced:

O2N7C24H27 (1)

Stoich.:

A2B7C24D27 (1)

Weight, g/mol:

467.079444

ΔHf, kcal/mol:

44.91

Dipole, Da:

8.63

IP(EA), eV:

 -8.63(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-chloro-2-(trifluoromethyl)pyridin-4-yl]-[(1S)-5-(5-methylthiophen-2-yl)-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-dien-12-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)CC2=CC(=CC=C2)NC3=C4C(=CC=NC4=O)N(N3)C5CCCCC5

DOS

IR

Vibrations