Geometry & MOs

Info

ID:	183930
PubChem CID:	77090934
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	364.114002
ΔH_f, kcal/mol:	-14.74
Dipole, Da:	2.61
IP(EA), eV:	-9.25(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(2,6-dimethylpyridin-4-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CN2CCOC3=C(C2)C=C(C=C3)CO

DOS

IR

Vibrations