Geometry & MOs

Info

ID:

112848

PubChem CID:

50422453

Reduced:

N5O5C31H43 (1)

Stoich.:

A5B5C31D43 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-211.39

Dipole, Da:

0.68

IP(EA), eV:

 -8.16(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)CC)C

DOS

IR

Vibrations