Geometry & MOs

Info

ID:

119435

PubChem CID:

50685138

Reduced:

ClN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-209.86

Dipole, Da:

6.33

IP(EA), eV:

 -8.64(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations