Geometry & MOs

Info

ID:

116681

PubChem CID:

50571610

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

750.269939

ΔHf, kcal/mol:

-218.27

Dipole, Da:

8.31

IP(EA), eV:

 -8.94(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations