Geometry & MOs

Info

ID:

117598

PubChem CID:

50608430

Reduced:

ClFO4N5C28H33 (1)

Stoich.:

ABC4D5E28F33 (1)

Weight, g/mol:

694.248202

ΔHf, kcal/mol:

-204.43

Dipole, Da:

7.26

IP(EA), eV:

 -8.77(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations