Geometry & MOs

Info

ID:

170931

PubChem CID:

75303627

Reduced:

ClN2O6C25H35 (1)

Stoich.:

AB2C6D25E35 (1)

Weight, g/mol:

899.299859

ΔHf, kcal/mol:

-243.87

Dipole, Da:

2.14

IP(EA), eV:

 -9.54(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-6-[(4-cyclopropylmorpholin-2-yl)methoxy]pyridin-3-yl]sulfonyl-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Drug info:

PubChemData

Smile

CCCCCCCCOC1=NN=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl

DOS

IR

Vibrations