Geometry & MOs

Info

ID:

298469

PubChem CID:

117650037

Reduced:

N2O4C21H29 (2)

Stoich.:

A2B4C21D29 (2)

Weight, g/mol:

556.181664

ΔHf, kcal/mol:

-374.03

Dipole, Da:

3.46

IP(EA), eV:

 -8.34(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3)OCCCNC(=O)OC(C)(C)C)OCCCNC(=O)OC(C)(C)C)C4=CC=CC=C41

DOS

IR

Vibrations