Geometry & MOs

Info

ID:

232188

PubChem CID:

87575666

Reduced:

SN3O6C22H23 (1)

Stoich.:

AB3C6D22E23 (1)

Weight, g/mol:

489.207528

ΔHf, kcal/mol:

-204.6

Dipole, Da:

3.45

IP(EA), eV:

 -9.19(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-7-[(6-methoxy-5-methyl-2H-benzotriazol-4-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC\2=C(C=C1)NC(=O)/C2=C/C3=C(C4=C(N3)CCCC4=O)CCC(=O)O

DOS

IR

Vibrations