Geometry & MOs

Info

ID:

97672

PubChem CID:

50033689

Reduced:

ClF2O5N6C39H39 (1)

Stoich.:

AB2C5D6E39F39 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-234.44

Dipole, Da:

11.08

IP(EA), eV:

 -8.74(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations