Geometry & MOs

Info

ID:

116038

PubChem CID:

50544469

Reduced:

ClFO5N6C40H50 (1)

Stoich.:

ABC5D6E40F50 (1)

Weight, g/mol:

752.326453

ΔHf, kcal/mol:

-259.95

Dipole, Da:

5.78

IP(EA), eV:

 -9.07(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations