Geometry & MOs

Info

ID:	33650
PubChem CID:	7887339
Reduced:	NSO5H15C19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	316.040545
ΔH_f, kcal/mol:	-129.24
Dipole, Da:	4.87
IP(EA), eV:	-8.39(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-benzothiophene-2-carbonyloxymethyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations