Geometry & MOs

Info

ID:

109224

PubChem CID:

50277713

Reduced:

FN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-211.91

Dipole, Da:

5.36

IP(EA), eV:

 -8.6(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC)OC)C)F

DOS

IR

Vibrations