Geometry & MOs

Info

ID:

118494

PubChem CID:

50644453

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-181.97

Dipole, Da:

3.4

IP(EA), eV:

 -8.62(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC(=C5)C

DOS

IR

Vibrations