Geometry & MOs

Info

ID:

97417

PubChem CID:

50031471

Reduced:

O5N6C34H40 (1)

Stoich.:

A5B6C34D40 (1)

Weight, g/mol:

685.287589

ΔHf, kcal/mol:

-175.55

Dipole, Da:

6.2

IP(EA), eV:

 -8.55(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C

DOS

IR

Vibrations