Geometry & MOs

Info

ID:

97133

PubChem CID:

50028172

Reduced:

BrF2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-209.44

Dipole, Da:

3.4

IP(EA), eV:

 -9.07(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chloro-2-methylanilino)-1-oxopropan-2-yl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4Br

DOS

IR

Vibrations