Geometry & MOs

Info

ID:	243451
PubChem CID:	99222925
Reduced:	Cl2N2O2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	498.0953
ΔH_f, kcal/mol:	-91.47
Dipole, Da:	2.89
IP(EA), eV:	-9.66(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCC1)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations