Geometry & MOs

Info

ID:

109200

PubChem CID:

50276325

Reduced:

FN5O6C35H40 (1)

Stoich.:

AB5C6D35E40 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-240.33

Dipole, Da:

8.58

IP(EA), eV:

 -8.65(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC)C)F

DOS

IR

Vibrations