Geometry & MOs

Info

ID:	235672
PubChem CID:	92710380
Reduced:	SN4O4C27H36 (1)
Stoich.:	AB4C4D27E36 (1)
Weight, g/mol:	512.245727
ΔH_f, kcal/mol:	-142.07
Dipole, Da:	9.62
IP(EA), eV:	-8.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6aS)-3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N3CCCC[C@@H]3C(=O)N2CC(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations