Geometry & MOs

Info

ID:

119707

PubChem CID:

50697138

Reduced:

Cl2O5N6C37H48 (1)

Stoich.:

A2B5C6D37E48 (1)

Weight, g/mol:

754.301239

ΔHf, kcal/mol:

-236.87

Dipole, Da:

8.74

IP(EA), eV:

 -9.05(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations