Geometry & MOs

Info

ID:

115128

PubChem CID:

50510430

Reduced:

FN5O5C34H38 (1)

Stoich.:

AB5C5D34E38 (1)

Weight, g/mol:

615.285698

ΔHf, kcal/mol:

-192.2

Dipole, Da:

6.04

IP(EA), eV:

 -8.47(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4OC)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations