Geometry & MOs

Info

ID:

120532

PubChem CID:

50731881

Reduced:

FO4N5C25H30 (1)

Stoich.:

AB4C5D25E30 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-196.78

Dipole, Da:

5.63

IP(EA), eV:

 -8.76(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-chlorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(=O)N)F

DOS

IR

Vibrations