Geometry & MOs

Info

ID:

117087

PubChem CID:

50588687

Reduced:

BrClO5N6C37H48 (1)

Stoich.:

ABC5D6E37F48 (1)

Weight, g/mol:

742.22451

ΔHf, kcal/mol:

-216.73

Dipole, Da:

9.46

IP(EA), eV:

 -8.89(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(methylcarbamoyl)phenyl]-1-[1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCC(CC5)C)Br

DOS

IR

Vibrations