Geometry & MOs

Info

ID:

117448

PubChem CID:

50603274

Reduced:

Cl2N5O5C29H37 (1)

Stoich.:

A2B5C5D29E37 (1)

Weight, g/mol:

708.340211

ΔHf, kcal/mol:

-200.84

Dipole, Da:

8.29

IP(EA), eV:

 -9.03(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)OC)Cl

DOS

IR

Vibrations