Geometry & MOs

Info

ID:

80046

PubChem CID:

49832428

Reduced:

FCl2O3N8H29C38 (1)

Stoich.:

AB2C3D8E29F38 (1)

Weight, g/mol:

475.108103

ΔHf, kcal/mol:

41.0

Dipole, Da:

7.78

IP(EA), eV:

 -9.41(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[5-[4-[(5-chloropyridin-2-yl)methoxy]-2-oxopyridin-1-yl]pyridin-2-yl]amino]ethyl]cyclopropanesulfonamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=C5)C6=CN=CC=C6)C7=CC(=C(C(=C7)Cl)F)Cl)CC8=CC=C(C=C8)C#N

DOS

IR

Vibrations