Geometry & MOs

Info

ID:	361356
PubChem CID:	127302665
Reduced:	S2N4O4C15H20 (1)
Stoich.:	A2B4C4D15E20 (1)
Weight, g/mol:	380.108916
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	4.18
IP(EA), eV:	-9.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-3-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations