Geometry & MOs

Info

ID:	203422
PubChem CID:	79827753
Reduced:	N5C11H19 (1)
Stoich.:	A5B11C19 (1)
Weight, g/mol:	383.00132
ΔH_f, kcal/mol:	21.81
Dipole, Da:	2.04
IP(EA), eV:	-8.26(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)sulfanyl-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one

Drug info:

PubChemData

Smile

CN1CCCC(C1)NC2=NC(=C(C=C2)N)N

DOS

IR

Vibrations