Geometry & MOs

Info

ID:	130699
PubChem CID:	51093586
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	4.86
IP(EA), eV:	-9.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CC=NC=C2)CCC(=O)NCC3CC3

DOS

IR

Vibrations