Geometry & MOs

Info

ID:	235671
PubChem CID:	92710379
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	512.245727
ΔH_f, kcal/mol:	-159.03
Dipole, Da:	6.45
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6aR)-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

CCOC(=O)C[C@H]1COC2=C(N1)C=C(C=C2)C(=O)N3CCCC3

DOS

IR

Vibrations