Geometry & MOs

Info

ID:

118320

PubChem CID:

50638298

Reduced:

ClN6O6C39H49 (1)

Stoich.:

AB6C6D39E49 (1)

Weight, g/mol:

736.290674

ΔHf, kcal/mol:

-244.97

Dipole, Da:

6.03

IP(EA), eV:

 -8.04(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations