Geometry & MOs

Info

ID:

33572

PubChem CID:

7887032

Reduced:

N3O6C19H21 (1)

Stoich.:

A3B6C19D21 (1)

Weight, g/mol:

415.099989

ΔHf, kcal/mol:

-178.84

Dipole, Da:

6.26

IP(EA), eV:

 -8.77(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-cyclopropylethyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)CN2C(=O)N(C(=O)N(C2=O)CC=C)CC=C

DOS

IR

Vibrations