Geometry & MOs

Info

ID:	305691
PubChem CID:	124965655
Reduced:	FON5C25H28 (1)
Stoich.:	ABC5D25E28 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	5.1
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)[C@H]2CCCN(C2)CC3=CN=CC=C3)C)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations