Geometry & MOs

Info

ID:	30644
PubChem CID:	841614
Reduced:	SO2N4H10C13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	38.84
Dipole, Da:	9.74
IP(EA), eV:	-9.16(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C(=O)N=C2S1)C=C3C=CC(=O)C=C3)N

DOS

IR

Vibrations