Geometry & MOs

Info

ID:

113136

PubChem CID:

50432108

Reduced:

F2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-224.79

Dipole, Da:

6.41

IP(EA), eV:

 -8.75(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5F)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations