Geometry & MOs

Info

ID:

95261

PubChem CID:

50007588

Reduced:

Cl2O3N4C23H26 (1)

Stoich.:

A2B3C4D23E26 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-106.8

Dipole, Da:

6.0

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations