Geometry & MOs

Info

ID:	77501
PubChem CID:	49648844
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	3.54
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 2-(2-ethylbenzimidazol-1-yl)acetate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2CS1)OC(=O)CCCNC(=O)C3=CC=CO3

DOS

IR

Vibrations