Geometry & MOs

Info

ID:	55280
PubChem CID:	17389996
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	275.098
ΔH_f, kcal/mol:	-57.22
Dipole, Da:	3.5
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1C(CCC2)C)N3C=CC=C3

DOS

IR

Vibrations