Geometry & MOs

Info

ID:	305692
PubChem CID:	124965735
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-3.05
Dipole, Da:	6.14
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylthiadiazol-5-yl)-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCN([C@@H](C2)C3=CC=CC=C3OC)C

DOS

IR

Vibrations