Geometry & MOs

Info

ID:

164625

PubChem CID:

74427490

Reduced:

FSO3N5C36H44 (1)

Stoich.:

ABC3D5E36F44 (1)

Weight, g/mol:

680.294489

ΔHf, kcal/mol:

-114.06

Dipole, Da:

4.26

IP(EA), eV:

 -8.94(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(6-fluoropyridin-3-yl)-1-N-[3-hydroxy-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(C)C(=O)C2=CC(=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CN(C)C4=CN=CC(=C4)C(C)(C)F)O)C(C)C

DOS

IR

Vibrations