Geometry & MOs

Info

ID:	43893
PubChem CID:	10321941
Reduced:	ClSN2O4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	458.143092
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	6.63
IP(EA), eV:	-9.28(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-[1]benzothiolo[2,3-c]pyrrol-1-one;hydrochloride

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=C(C=C(C=C2)C(=O)O)Cl)/C=C(\CC3=CC=CS3)/C(=O)O

DOS

IR

Vibrations