Geometry & MOs

Info

ID:

329570

PubChem CID:

126738408

Reduced:

PO5C28H49 (1)

Stoich.:

AB5C28D49 (1)

Weight, g/mol:

581.131124

ΔHf, kcal/mol:

-364.47

Dipole, Da:

3.43

IP(EA), eV:

 -8.43(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-chloro-3-(2,2-dimethylpropanoylamino)pyridin-2-yl]methyl 2-(2,5-difluoro-4-sulfinamoylbenzoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCCCCCCCCCCC(C)C)C)OP(=O)(O)OC)C

DOS

IR

Vibrations