Geometry & MOs

Info

ID:

98112

PubChem CID:

50039858

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-243.48

Dipole, Da:

14.37

IP(EA), eV:

 -8.54(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)C

DOS

IR

Vibrations