Geometry & MOs

Info

ID:

112851

PubChem CID:

50422456

Reduced:

ClN5O5C30H40 (1)

Stoich.:

AB5C5D30E40 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-209.69

Dipole, Da:

6.57

IP(EA), eV:

 -8.45(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)OC)C(=O)NC

DOS

IR

Vibrations