Geometry & MOs

Info

ID:

101385

PubChem CID:

50064651

Reduced:

F2O5N6H36C37 (1)

Stoich.:

A2B5C6D36E37 (1)

Weight, g/mol:

758.283981

ΔHf, kcal/mol:

-221.47

Dipole, Da:

13.84

IP(EA), eV:

 -8.67(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations