Geometry & MOs

Info

ID:

103480

PubChem CID:

50071596

Reduced:

F2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

740.293403

ΔHf, kcal/mol:

-227.51

Dipole, Da:

11.76

IP(EA), eV:

 -8.74(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=C(C=C(C=C6)F)C

DOS

IR

Vibrations