Geometry & MOs

Info

ID:

97650

PubChem CID:

50033450

Reduced:

FCl2O4N5C35H40 (1)

Stoich.:

AB2C4D5E35F40 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-205.71

Dipole, Da:

12.11

IP(EA), eV:

 -8.65(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations