Geometry & MOs

Info

ID:

100463

PubChem CID:

50061688

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

762.354111

ΔHf, kcal/mol:

-278.9

Dipole, Da:

15.15

IP(EA), eV:

 -8.12(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)OC

DOS

IR

Vibrations