Geometry & MOs

Info

ID:

91928

PubChem CID:

49980396

Reduced:

FN3O3C20H24 (2)

Stoich.:

AB3C3D20E24 (2)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-310.46

Dipole, Da:

5.94

IP(EA), eV:

 -9.02(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-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=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations