Geometry & MOs

Info

ID:

120479

PubChem CID:

50729530

Reduced:

Cl2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

642.293261

ΔHf, kcal/mol:

-210.81

Dipole, Da:

4.67

IP(EA), eV:

 -8.61(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-(5-carbamoyl-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4C)Cl

DOS

IR

Vibrations