Geometry & MOs

Info

ID:	375341
PubChem CID:	131500013
Reduced:	SN3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	266.93535
ΔH_f, kcal/mol:	21.58
Dipole, Da:	2.88
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-1,3-thiazol-2-yl)benzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC)C(C)N

DOS

IR

Vibrations