Geometry & MOs

Info

ID:	235673
PubChem CID:	92710381
Reduced:	SN4O4C27H36 (1)
Stoich.:	AB4C4D27E36 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	4.64
IP(EA), eV:	-8.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR)-3-pyrrolidin-1-ylsulfonyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

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