Geometry & MOs

Info

ID:	138673
PubChem CID:	52405589
Reduced:	OSN2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	413.123169
ΔH_f, kcal/mol:	26.07
Dipole, Da:	3.57
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=CS2)C(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations