Geometry & MOs

Info

ID:

105940

PubChem CID:

50143420

Reduced:

N5O5C30H39 (1)

Stoich.:

A5B5C30D39 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-190.77

Dipole, Da:

9.11

IP(EA), eV:

 -8.62(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C

DOS

IR

Vibrations