Geometry & MOs

Info

ID:

115562

PubChem CID:

50527432

Reduced:

Cl3O4N5C30H38 (1)

Stoich.:

A3B4C5D30E38 (1)

Weight, g/mol:

634.13061

ΔHf, kcal/mol:

-190.25

Dipole, Da:

6.68

IP(EA), eV:

 -9.08(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations