Geometry & MOs

Info

ID:

328274

PubChem CID:

126700491

Reduced:

ClO3N5C21H22 (1)

Stoich.:

AB3C5D21E22 (1)

Weight, g/mol:

393.18009

ΔHf, kcal/mol:

-35.46

Dipole, Da:

8.31

IP(EA), eV:

 -8.29(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-cyclopropyl-2-[[2-(1-methyl-6-oxopyridin-3-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)C2=NC3=C4N2CCCOC4=CC(=C3)N[C@@H](C5CC5)C(=O)N)Cl

DOS

IR

Vibrations