Geometry & MOs

Info

ID:	369982
PubChem CID:	127337045
Reduced:	OS2N6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	371.144967
ΔH_f, kcal/mol:	20.1
Dipole, Da:	8.73
IP(EA), eV:	-8.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3=NN=C(S3)SCC

DOS

IR

Vibrations