Geometry & MOs

Info

ID:

104890

PubChem CID:

50105881

Reduced:

Cl2F2O4N5C34H37 (1)

Stoich.:

A2B2C4D5E34F37 (1)

Weight, g/mol:

697.20752

ΔHf, kcal/mol:

-243.2

Dipole, Da:

14.63

IP(EA), eV:

 -8.86(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations