Geometry & MOs

Info

ID:

111710

PubChem CID:

50378523

Reduced:

ClN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

676.394833

ΔHf, kcal/mol:

-210.86

Dipole, Da:

10.31

IP(EA), eV:

 -9.06(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(diethylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations