Geometry & MOs

Info

ID:

91490

PubChem CID:

49976368

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

710.319476

ΔHf, kcal/mol:

-245.55

Dipole, Da:

7.5

IP(EA), eV:

 -9.04(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations