Geometry & MOs

Info

ID:

118149

PubChem CID:

50630767

Reduced:

ClO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

708.259374

ΔHf, kcal/mol:

-106.82

Dipole, Da:

8.45

IP(EA), eV:

 -8.54(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations