Geometry & MOs

Info

ID:	206848
PubChem CID:	80309359
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	296.075012
ΔH_f, kcal/mol:	-26.4
Dipole, Da:	3.81
IP(EA), eV:	-8.43(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-chloroaniline

Drug info:

PubChemData

Smile

CC(C)NCC1=CC(=C(C=C1)OC)OCC2=NC=CS2

DOS

IR

Vibrations