Geometry & MOs

Info

ID:

113963

PubChem CID:

50466346

Reduced:

BrO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

718.327897

ΔHf, kcal/mol:

-131.04

Dipole, Da:

5.87

IP(EA), eV:

 -8.66(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluorobenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5C)Br)C)C

DOS

IR

Vibrations