Geometry & MOs

Info

ID:

111595

PubChem CID:

50373906

Reduced:

FO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

716.308911

ΔHf, kcal/mol:

-266.5

Dipole, Da:

9.84

IP(EA), eV:

 -8.51(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-chlorobenzoyl)amino]anilino]-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=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C)F)C(=O)NC4CCCC4

DOS

IR

Vibrations