Geometry & MOs

Info

ID:

96576

PubChem CID:

50022409

Reduced:

F2O5N6C43H48 (1)

Stoich.:

A2B5C6D43E48 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-254.29

Dipole, Da:

10.57

IP(EA), eV:

 -9.06(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations