Geometry & MOs

Info

ID:	56859
PubChem CID:	22394442
Reduced:	ClSN2O4H17C24 (1)
Stoich.:	ABC2D4E17F24 (1)
Weight, g/mol:	523.180874
ΔH_f, kcal/mol:	-4.49
Dipole, Da:	2.54
IP(EA), eV:	-8.68(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=NOC(=C4)C5=CC=C(S5)Cl

DOS

IR

Vibrations