Geometry & MOs

Info

ID:

110964

PubChem CID:

50346021

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-226.24

Dipole, Da:

2.68

IP(EA), eV:

 -8.91(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C)C

DOS

IR

Vibrations