Geometry & MOs

Info

ID:

95155

PubChem CID:

50006705

Reduced:

BrClO4N5C32H41 (1)

Stoich.:

ABC4D5E32F41 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-170.69

Dipole, Da:

5.67

IP(EA), eV:

 -9.03(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-3-(3-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations