Geometry & MOs

Info

ID:	351098
PubChem CID:	127279656
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	316.066383
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	2.01
IP(EA), eV:	-8.87(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C2=CC=CC=C2)C(=O)NCCN3CCOCC3(C)C

DOS

IR

Vibrations