Geometry & MOs

Info

ID:	248673
PubChem CID:	103083503
Reduced:	BrNSO3H10C15 (1)
Stoich.:	ABCD3E10F15 (1)
Weight, g/mol:	280.951
ΔH_f, kcal/mol:	-35.73
Dipole, Da:	5.53
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-1,3-thiazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=CS2)C3=CC(=CO3)C(=O)O

DOS

IR

Vibrations