Geometry & MOs

Info

ID:

103204

PubChem CID:

50070538

Reduced:

Cl2F2O4N5C33H35 (1)

Stoich.:

A2B2C4D5E33F35 (1)

Weight, g/mol:

673.203416

ΔHf, kcal/mol:

-231.87

Dipole, Da:

9.83

IP(EA), eV:

 -9.01(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations