Geometry & MOs

Info

ID:

314250

PubChem CID:

126621049

Reduced:

SO4N6C27H28 (1)

Stoich.:

AB4C6D27E28 (1)

Weight, g/mol:

437.128838

ΔHf, kcal/mol:

-2.77

Dipole, Da:

8.56

IP(EA), eV:

 -8.32(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(R)-N-[1-(4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)ethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)NC=C2)C3=NC4=C(C(=N3)N5CCOCC5)OC6=C4C=C(C=N6)CN7CCS(=O)CC7

DOS

IR

Vibrations