Geometry & MOs

Info

ID:	373608
PubChem CID:	131317773
Reduced:	ClN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	-33.55
Dipole, Da:	4.67
IP(EA), eV:	-9.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)C2=C(C=CC(=C2O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations