Geometry & MOs

Info

ID:	140651
PubChem CID:	52736252
Reduced:	S3N6H20C21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	133.78
Dipole, Da:	2.69
IP(EA), eV:	-8.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(N=C3SC4=NN=C(S4)N5CCCC5)C6=CN=CC=C6

DOS

IR

Vibrations