Geometry & MOs

Info

ID:	142123
PubChem CID:	52985592
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-134.95
Dipole, Da:	9.1
IP(EA), eV:	-9.39(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2)C

DOS

IR

Vibrations