Geometry & MOs

Info

ID:

120092

PubChem CID:

50713465

Reduced:

Cl2O5N6C32H40 (1)

Stoich.:

A2B5C6D32E40 (1)

Weight, g/mol:

662.261961

ΔHf, kcal/mol:

-220.65

Dipole, Da:

8.82

IP(EA), eV:

 -9.06(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methoxy-5-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations