Geometry & MOs

Info

ID:	21623
PubChem CID:	589283
Reduced:	SO3N5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	371.105211
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	4.99
IP(EA), eV:	-8.72(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-[[4-(tetrazol-1-yl)benzoyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations