Geometry & MOs

Info

ID:

434907

PubChem CID:

135175965

Reduced:

O2N3C15H30 (2)

Stoich.:

A2B3C15D30 (2)

Weight, g/mol:

940.461389

ΔHf, kcal/mol:

-188.52

Dipole, Da:

2.68

IP(EA), eV:

 -8.29(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-[2-[2-[4-[[4-[4-[(2-chlorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-formyl-N-methyl-N-(1-oxopentan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(C)(C)C)NC(=O)COCCCOCCCN1CCN(CC1)CCC(CCNC)(CCN=C/C=C/N)OC

DOS

IR

Vibrations