Geometry & MOs

Info

ID:

107629

PubChem CID:

50211614

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-254.9

Dipole, Da:

9.74

IP(EA), eV:

 -8.69(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations