Geometry & MOs

Info

ID:

108506

PubChem CID:

50248310

Reduced:

BrF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

758.279503

ΔHf, kcal/mol:

-257.92

Dipole, Da:

6.15

IP(EA), eV:

 -9.0(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC

DOS

IR

Vibrations