Geometry & MOs

Info

ID:

91829

PubChem CID:

49979411

Reduced:

FN6O6C39H53 (1)

Stoich.:

AB6C6D39E53 (1)

Weight, g/mol:

744.340211

ΔHf, kcal/mol:

-309.74

Dipole, Da:

7.47

IP(EA), eV:

 -8.68(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations