Geometry & MOs

Info

ID:

109891

PubChem CID:

50300867

Reduced:

FN6O7C38H45 (1)

Stoich.:

AB6C7D38E45 (1)

Weight, g/mol:

622.347883

ΔHf, kcal/mol:

-292.4

Dipole, Da:

5.93

IP(EA), eV:

 -8.9(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-methoxy-4-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC)C)F

DOS

IR

Vibrations