Geometry & MOs

Info

ID:

91876

PubChem CID:

49979785

Reduced:

FN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-248.93

Dipole, Da:

10.28

IP(EA), eV:

 -8.86(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]butan-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=C4)F

DOS

IR

Vibrations