Geometry & MOs

Info

ID:

105576

PubChem CID:

50126488

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-214.29

Dipole, Da:

6.83

IP(EA), eV:

 -8.93(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[2-(propan-2-ylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl

DOS

IR

Vibrations