Geometry & MOs

Info

ID:	77963
PubChem CID:	49681224
Reduced:	O2S2N4C9H14 (1)
Stoich.:	A2B2C4D9E14 (1)
Weight, g/mol:	359.108582
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	2.38
IP(EA), eV:	-8.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC=C

DOS

IR

Vibrations