Geometry & MOs

Info

ID:	43894
PubChem CID:	10321944
Reduced:	ClSN2O3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	422.166414
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	3.72
IP(EA), eV:	-7.91(-1.05)
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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2CC3=C(C2=O)C4=CC=CC=C4S3)OCCN5CCCCC5.Cl

DOS

IR

Vibrations