Geometry & MOs

Info

ID:

120538

PubChem CID:

50732195

Reduced:

FO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-202.75

Dipole, Da:

8.22

IP(EA), eV:

 -9.06(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(butan-2-ylcarbamoyl)-3-chloroanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC=C4C(=O)N)F

DOS

IR

Vibrations