Geometry & MOs

Info

ID:	175981
PubChem CID:	75978006
Reduced:	SCl2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	372.08116
ΔH_f, kcal/mol:	63.57
Dipole, Da:	3.25
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)CC(C)N2C=C(C=N2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations