Geometry & MOs

Info

ID:

114532

PubChem CID:

50486963

Reduced:

FO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-220.55

Dipole, Da:

7.19

IP(EA), eV:

 -8.95(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)N5CCCCC5)C(=O)NC6=CC=C(C=C6)F

DOS

IR

Vibrations