Geometry & MOs

Info

ID:

111121

PubChem CID:

50352910

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

514.236225

ΔHf, kcal/mol:

-179.56

Dipole, Da:

5.96

IP(EA), eV:

 -8.91(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations