Geometry & MOs

Info

ID:	248670
PubChem CID:	103083483
Reduced:	BrN2O4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	310.96156
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	4.02
IP(EA), eV:	-9.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-2-methylphenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3CCC(O3)C(=O)O

DOS

IR

Vibrations