Geometry & MOs

Info

ID:	170064
PubChem CID:	75192037
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	471.199191
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	5.14
IP(EA), eV:	-8.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(6,7-dimethyl-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)methylsulfanyl]phenyl]-2-(4-fluorophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(C(=O)N=C2C=C1C)CSC3=CC=C(C=C3)NC(=O)CC4CCCCC4

DOS

IR

Vibrations