Geometry & MOs

Info

ID:	85447
PubChem CID:	49875299
Reduced:	NSO3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	325.017557
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	3.1
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-chloro-3-(phenoxycarbonylamino)thiophen-2-yl]acetate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC2=C(S1)OCC(=O)N2

DOS

IR

Vibrations