Geometry & MOs

Info

ID:

97391

PubChem CID:

50031108

Reduced:

BrF2O3N4C29H29 (1)

Stoich.:

AB2C3D4E29F29 (1)

Weight, g/mol:

687.266854

ΔHf, kcal/mol:

-155.74

Dipole, Da:

7.09

IP(EA), eV:

 -9.01(-0.5)

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-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations