Geometry & MOs

Info

ID:

103873

PubChem CID:

50077984

Reduced:

ClO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-180.72

Dipole, Da:

5.67

IP(EA), eV:

 -8.61(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations