Geometry & MOs

Info

ID:

115351

PubChem CID:

50519950

Reduced:

Cl2N6O6C31H38 (1)

Stoich.:

A2B6C6D31E38 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-237.56

Dipole, Da:

2.88

IP(EA), eV:

 -9.16(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations