Geometry & MOs

Info

ID:

98344

PubChem CID:

50042965

Reduced:

BrO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

702.21653

ΔHf, kcal/mol:

-176.82

Dipole, Da:

9.63

IP(EA), eV:

 -8.61(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(methylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)NC(C)C

DOS

IR

Vibrations