Geometry & MOs

Info

ID:

114556

PubChem CID:

50488488

Reduced:

ClFO4N5C33H35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-170.85

Dipole, Da:

9.94

IP(EA), eV:

 -8.86(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[3-[(4-fluorophenyl)carbamoyl]-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=C4Cl)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations