Geometry & MOs

Info

ID:	78857
PubChem CID:	49738090
Reduced:	ClSO2N5C16H18 (1)
Stoich.:	ABC2D5E16F18 (1)
Weight, g/mol:	413.107709
ΔH_f, kcal/mol:	-39.39
Dipole, Da:	5.07
IP(EA), eV:	-8.83(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5-chloropyridin-2-yl)amino]-1,3-thiazol-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)CC2=CSC(=N2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations