Geometry & MOs

Info

ID:

120338

PubChem CID:

50723440

Reduced:

Cl2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

722.275024

ΔHf, kcal/mol:

-177.52

Dipole, Da:

9.4

IP(EA), eV:

 -9.05(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations