Geometry & MOs

Info

ID:

104120

PubChem CID:

50091776

Reduced:

FO3N4C32H37 (1)

Stoich.:

AB3C4D32E37 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-146.3

Dipole, Da:

4.6

IP(EA), eV:

 -8.54(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)C

DOS

IR

Vibrations