Geometry & MOs

Info

ID:

96019

PubChem CID:

50018461

Reduced:

BrF2O3N4C30H31 (1)

Stoich.:

AB2C3D4E30F31 (1)

Weight, g/mol:

534.244247

ΔHf, kcal/mol:

-167.62

Dipole, Da:

7.06

IP(EA), eV:

 -9.03(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations