Geometry & MOs

Info

ID:

95596

PubChem CID:

50010583

Reduced:

ClO3N4C27H35 (1)

Stoich.:

AB3C4D27E35 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-126.53

Dipole, Da:

7.74

IP(EA), eV:

 -8.82(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(2-methylpropylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C

DOS

IR

Vibrations