Geometry & MOs

Info

ID:

113596

PubChem CID:

50452099

Reduced:

F4O5N6H40C41 (1)

Stoich.:

A4B5C6D40E41 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-314.89

Dipole, Da:

12.29

IP(EA), eV:

 -9.16(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)F)F)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations