Geometry & MOs

Info

ID:

164211

PubChem CID:

74382326

Reduced:

SN4O8C30H42 (1)

Stoich.:

AB4C8D30E42 (1)

Weight, g/mol:

522.216158

ΔHf, kcal/mol:

-309.86

Dipole, Da:

5.91

IP(EA), eV:

 -8.77(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-3-[4-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanal

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=C(C=C1)OC)NC(=O)OC2COC3C2CCO3)N)S(=O)(=O)C4=CC5=C(C=C4)OCCN5

DOS

IR

Vibrations