Geometry & MOs

Info

ID:	166652
PubChem CID:	74722378
Reduced:	SO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	490.118515
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	2.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.978742
Charge, e:	-1

Chem-info

IUPAC name:

4-[5-[[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(CNC(=O)C(=O)NC2CC2)C3=CSC=C3

DOS

IR

Vibrations