Geometry & MOs

Info

ID:

113172

PubChem CID:

50433372

Reduced:

F3N5O5C31H40 (1)

Stoich.:

A3B5C5D31E40 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-372.87

Dipole, Da:

5.57

IP(EA), eV:

 -9.07(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3OC(F)(F)F)C

DOS

IR

Vibrations