Geometry & MOs

Info

ID:

112633

PubChem CID:

50413991

Reduced:

BrO3N4C26H33 (1)

Stoich.:

AB3C4D26E33 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-112.11

Dipole, Da:

7.6

IP(EA), eV:

 -8.85(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,4-difluorophenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC)C)Br

DOS

IR

Vibrations