Geometry & MOs

Info

ID:	320502
PubChem CID:	126661475
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	416.079925
ΔH_f, kcal/mol:	54.01
Dipole, Da:	4.0
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylsulfanylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CNCN(C1)SC2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations