Geometry & MOs

Info

ID:

101282

PubChem CID:

50064541

Reduced:

F2N5O5C35H39 (1)

Stoich.:

A2B5C5D35E39 (1)

Weight, g/mol:

681.17622

ΔHf, kcal/mol:

-254.59

Dipole, Da:

16.39

IP(EA), eV:

 -8.7(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations