Geometry & MOs

Info

ID:

98451

PubChem CID:

50044284

Reduced:

F2N6O6C37H42 (1)

Stoich.:

A2B6C6D37E42 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-294.41

Dipole, Da:

7.59

IP(EA), eV:

 -9.14(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations