Geometry & MOs

Info

ID:	361832
PubChem CID:	127304803
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	24.66
Dipole, Da:	4.3
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)C3=CC4=C(N=C3)ON=C4C(C)C

DOS

IR

Vibrations