Geometry & MOs

Info

ID:	182254
PubChem CID:	76865271
Reduced:	SN3O6C11H19 (1)
Stoich.:	AB3C6D11E19 (1)
Weight, g/mol:	368.96704
ΔH_f, kcal/mol:	-269.77
Dipole, Da:	9.04
IP(EA), eV:	-10.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(5-bromothiophen-2-yl)prop-2-enoylamino]methyl]-2-methylfuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN(C(C)C)S(=O)(=O)C1CNC(=O)NC1=O

DOS

IR

Vibrations