Geometry & MOs

Info

ID:

115772

PubChem CID:

50533625

Reduced:

Cl2O4N5C33H41 (1)

Stoich.:

A2B4C5D33E41 (1)

Weight, g/mol:

718.324561

ΔHf, kcal/mol:

-184.11

Dipole, Da:

5.56

IP(EA), eV:

 -9.01(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(3-methoxybenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations