Geometry & MOs

Info

ID:

120377

PubChem CID:

50725052

Reduced:

ClF2O5N6C37H43 (1)

Stoich.:

AB2C5D6E37F43 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-284.87

Dipole, Da:

8.38

IP(EA), eV:

 -9.1(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-[3-[(2-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations