Geometry & MOs

Info

ID:

109180

PubChem CID:

50275480

Reduced:

F3O4N5C31H32 (1)

Stoich.:

A3B4C5D31E32 (1)

Weight, g/mol:

766.365425

ΔHf, kcal/mol:

-249.22

Dipole, Da:

6.49

IP(EA), eV:

 -8.68(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]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)NCC(=O)NC4=C(C=C(C=C4)F)F)C)F

DOS

IR

Vibrations