Geometry & MOs

Info

ID:

436805

PubChem CID:

135211718

Reduced:

SO4N7C34H47 (1)

Stoich.:

AB4C7D34E47 (1)

Weight, g/mol:

591.335545

ΔHf, kcal/mol:

-105.02

Dipole, Da:

4.57

IP(EA), eV:

 -8.49(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[4-[4-(dimethylamino)piperidin-1-yl]-5-methyl-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfinylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N2CCC(CC2)N3CCOCC3)OC(C)C)NC4=NC5=C(CCN5)C(=N4)NC6=CC=CC=C6S(=O)(=O)C(C)C

DOS

IR

Vibrations