Geometry & MOs

Info

ID:

109303

PubChem CID:

50279880

Reduced:

F3O4N5C34H36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-255.33

Dipole, Da:

7.85

IP(EA), eV:

 -8.83(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations