Geometry & MOs

Info

ID:

113392

PubChem CID:

50442317

Reduced:

F2N5O5C36H41 (1)

Stoich.:

A2B5C5D36E41 (1)

Weight, g/mol:

768.324703

ΔHf, kcal/mol:

-260.86

Dipole, Da:

10.08

IP(EA), eV:

 -9.05(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations