Geometry & MOs

Info

ID:

120391

PubChem CID:

50725412

Reduced:

ClN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

768.259374

ΔHf, kcal/mol:

-155.95

Dipole, Da:

5.37

IP(EA), eV:

 -8.7(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations