Geometry & MOs

Info

ID:

434521

PubChem CID:

135175124

Reduced:

SO7N11C56H73 (1)

Stoich.:

AB7C11D56E73 (1)

Weight, g/mol:

627.422051

ΔHf, kcal/mol:

-195.56

Dipole, Da:

6.65

IP(EA), eV:

 -8.41(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-(3-ethoxypropyl)piperazin-1-yl]propoxy]-N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CCCN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCOCCC4=CC=C(C=C4)OC5CCN(CC5)C6=NC=CC(=N6)NC7=NC=C8C(=C7)N(C(=N8)C)C(C)C

DOS

IR

Vibrations