Geometry & MOs

Info

ID:

114937

PubChem CID:

50502590

Reduced:

BrCl2O4N5C24H26 (1)

Stoich.:

AB2C4D5E24F26 (1)

Weight, g/mol:

611.211089

ΔHf, kcal/mol:

-148.02

Dipole, Da:

5.96

IP(EA), eV:

 -9.16(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[2-fluoro-5-[(4-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations