Geometry & MOs

Info

ID:	78564
PubChem CID:	49693626
Reduced:	BrO2S2N3H8C12 (1)
Stoich.:	AB2C2D3E8F12 (1)
Weight, g/mol:	462.103162
ΔH_f, kcal/mol:	47.22
Dipole, Da:	4.33
IP(EA), eV:	-9.14(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC2=NN=C(O2)NC(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations