Geometry & MOs

Info

ID:

114462

PubChem CID:

50483814

Reduced:

BrF2O3N4H27C28 (1)

Stoich.:

AB2C3D4E27F28 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-161.27

Dipole, Da:

7.02

IP(EA), eV:

 -9.02(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorobenzoyl)amino]phenyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations