Geometry & MOs

Info

ID:

118452

PubChem CID:

50643476

Reduced:

Cl2O5N6C31H38 (1)

Stoich.:

A2B5C6D31E38 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-208.66

Dipole, Da:

9.47

IP(EA), eV:

 -9.24(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations