Geometry & MOs

Info

ID:	78576
PubChem CID:	49693665
Reduced:	O2S2N3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	457.994396
ΔH_f, kcal/mol:	24.28
Dipole, Da:	5.31
IP(EA), eV:	-9.07(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCSC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)CC3=CC=CS3

DOS

IR

Vibrations