Geometry & MOs

Info

ID:

105011

PubChem CID:

50106159

Reduced:

FN3O3C20H25 (2)

Stoich.:

AB3C3D20E25 (2)

Weight, g/mol:

786.335268

ΔHf, kcal/mol:

-320.14

Dipole, Da:

6.74

IP(EA), eV:

 -8.86(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations