Geometry & MOs

Info

ID:	139541
PubChem CID:	52552043
Reduced:	SO2N5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	451.157065
ΔH_f, kcal/mol:	90.88
Dipole, Da:	3.17
IP(EA), eV:	-9.18(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[[4-[3-(3-chloro-4-methoxyphenyl)propanoyl]piperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=C(S2)NC(=O)CC3=NOC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations