Geometry & MOs

Info

ID:

119654

PubChem CID:

50695283

Reduced:

Cl2O5N6C34H42 (1)

Stoich.:

A2B5C6D34E42 (1)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-213.58

Dipole, Da:

5.87

IP(EA), eV:

 -9.14(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(cyclohexylcarbamoyl)phenyl]-1-[1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations