Geometry & MOs

Info

ID:	61064
PubChem CID:	26705055
Reduced:	ClSN3O4H14C17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	337.017557
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	1.18
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations