Geometry & MOs

Info

ID:

106098

PubChem CID:

50148902

Reduced:

FN6O6C39H49 (1)

Stoich.:

AB6C6D39E49 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-276.57

Dipole, Da:

8.38

IP(EA), eV:

 -8.72(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations