Geometry & MOs

Info

ID:

107710

PubChem CID:

50216030

Reduced:

ClFO5N6C42H44 (1)

Stoich.:

ABC5D6E42F44 (1)

Weight, g/mol:

746.359197

ΔHf, kcal/mol:

-196.33

Dipole, Da:

8.33

IP(EA), eV:

 -8.4(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(4-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations