Geometry & MOs

Info

ID:

107744

PubChem CID:

50217120

Reduced:

F2O5N6C36H40 (1)

Stoich.:

A2B5C6D36E40 (1)

Weight, g/mol:

674.302825

ΔHf, kcal/mol:

-256.91

Dipole, Da:

4.85

IP(EA), eV:

 -9.08(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC)C

DOS

IR

Vibrations