Geometry & MOs

Info

ID:

119453

PubChem CID:

50685661

Reduced:

ClN6O6C37H49 (1)

Stoich.:

AB6C6D37E49 (1)

Weight, g/mol:

722.355861

ΔHf, kcal/mol:

-250.95

Dipole, Da:

6.69

IP(EA), eV:

 -9.21(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations