Geometry & MOs

Info

ID:

187159

PubChem CID:

77536775

Reduced:

SF2O3N5C33H37 (1)

Stoich.:

AB2C3D5E33F37 (1)

Weight, g/mol:

661.289818

ΔHf, kcal/mol:

-133.57

Dipole, Da:

5.15

IP(EA), eV:

 -8.63(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[3-hydroxy-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-1-phenylbutan-2-yl]-5-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CN=C1)N(C)CC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)C(=O)N(C)CC4=NC(=CS4)C(F)F)O

DOS

IR

Vibrations