Geometry & MOs

Info

ID:	28472
PubChem CID:	827793
Reduced:	BrO3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	4.08
IP(EA), eV:	-9.08(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-tert-butylbenzoyl)amino]-5-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC=C(O2)Br)C(=O)O1

DOS

IR

Vibrations