Geometry & MOs

Info

ID:

116591

PubChem CID:

50567390

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-199.4

Dipole, Da:

8.61

IP(EA), eV:

 -8.99(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)Cl

DOS

IR

Vibrations