Geometry & MOs

Info

ID:

97859

PubChem CID:

50035977

Reduced:

BrClF2O4N5C34H37 (1)

Stoich.:

ABC2D4E5F34G37 (1)

Weight, g/mol:

725.23882

ΔHf, kcal/mol:

-226.02

Dipole, Da:

7.94

IP(EA), eV:

 -9.04(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2,6-dimethylanilino)-3-methyl-1-oxobutan-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)C)C(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations