Geometry & MOs

Info

ID:	289909
PubChem CID:	104386074
Reduced:	OS2N4C9H14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	312.125612
ΔH_f, kcal/mol:	2.23
Dipole, Da:	6.08
IP(EA), eV:	-8.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC2=NNC(=S)S2

DOS

IR

Vibrations