Geometry & MOs

Info

ID:

98334

PubChem CID:

50042781

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

736.318475

ΔHf, kcal/mol:

-266.35

Dipole, Da:

6.94

IP(EA), eV:

 -8.92(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylphenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations