Geometry & MOs

Info

ID:

449037

PubChem CID:

135295441

Reduced:

OSN6C26H32 (1)

Stoich.:

ABC6D26E32 (1)

Weight, g/mol:

583.276316

ΔHf, kcal/mol:

54.5

Dipole, Da:

4.09

IP(EA), eV:

 -8.78(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-5-[6-methyl-7-[[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-N-methylsulfanylpyridin-3-amine

Drug info:

PubChemData

Smile

CCCN(CCCC1=CC(=NC=C1)NC2=NC3=C(S2)N=C(C=C3)C4=CC(=NC=C4)C)CCOC

DOS

IR

Vibrations