Geometry & MOs

Info

ID:	436065
PubChem CID:	135193661
Reduced:	OSN7C29H37 (1)
Stoich.:	ABC7D29E37 (1)
Weight, g/mol:	310.157581
ΔH_f, kcal/mol:	55.72
Dipole, Da:	4.28
IP(EA), eV:	-8.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)N4CCC(CC4)C(=O)N5CCN(CC5)CCN6C(=CC=C6C)C

DOS

IR

Vibrations