Geometry & MOs

Info

ID:

418907

PubChem CID:

135107101

Reduced:

SN3O3C20H21 (1)

Stoich.:

AB3C3D20E21 (1)

Weight, g/mol:

532.243418

ΔHf, kcal/mol:

-44.4

Dipole, Da:

4.48

IP(EA), eV:

 -8.83(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=CN5C=CSC5=N4)OCC2

DOS

IR

Vibrations