Geometry & MOs

Info

ID:

328273

PubChem CID:

126700490

Reduced:

O4N5C23H23 (1)

Stoich.:

A4B5C23D23 (1)

Weight, g/mol:

427.141117

ΔHf, kcal/mol:

-70.05

Dipole, Da:

4.7

IP(EA), eV:

 -8.15(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-(5-chloro-6-methoxypyridin-3-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]-2-cyclopropylacetamide

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)N[C@@H](C4CC4)C(=O)N)N=C2C5=CC6=C(C=C5)OCC(=O)N6

DOS

IR

Vibrations