Geometry & MOs

Info

ID:

95460

PubChem CID:

50009509

Reduced:

BrO3N4C24H29 (1)

Stoich.:

AB3C4D24E29 (1)

Weight, g/mol:

652.337319

ΔHf, kcal/mol:

-102.48

Dipole, Da:

5.48

IP(EA), eV:

 -8.96(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations