Geometry & MOs

Info

ID:

115566

PubChem CID:

50527557

Reduced:

ClN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-208.13

Dipole, Da:

4.63

IP(EA), eV:

 -8.27(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N)OC

DOS

IR

Vibrations