Geometry & MOs

Info

ID:	248715
PubChem CID:	103083865
Reduced:	BrSN2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	338.04523
ΔH_f, kcal/mol:	19.49
Dipole, Da:	4.17
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(S2)CNC(C)(C)C)C

DOS

IR

Vibrations