Geometry & MOs

Info

ID:	290470
PubChem CID:	104604678
Reduced:	SN4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	273.045964
ΔH_f, kcal/mol:	32.41
Dipole, Da:	2.67
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-benzothiophen-5-ylamino)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CNC1CCCCCC1SC2=NC=NN2C

DOS

IR

Vibrations