Geometry & MOs

Info

ID:

99450

PubChem CID:

50050802

Reduced:

BrF2O3N4C30H31 (1)

Stoich.:

AB2C3D4E30F31 (1)

Weight, g/mol:

643.240639

ΔHf, kcal/mol:

-171.83

Dipole, Da:

10.12

IP(EA), eV:

 -8.82(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4C)Br)C

DOS

IR

Vibrations