Geometry & MOs

Info

ID:	269283
PubChem CID:	103616707
Reduced:	SN2O2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	295.033686
ΔH_f, kcal/mol:	-21.93
Dipole, Da:	4.57
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-ethylthiophen-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations