Geometry & MOs

Info

ID:	31794
PubChem CID:	3718286
Reduced:	S2N3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	542.100385
ΔH_f, kcal/mol:	-137.69
Dipole, Da:	3.91
IP(EA), eV:	-8.52(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C

DOS

IR

Vibrations