Geometry & MOs

Info

ID:

115482

PubChem CID:

50524635

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-219.57

Dipole, Da:

3.44

IP(EA), eV:

 -8.98(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)phenyl]-1-[1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NCC(C)C)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations