Geometry & MOs

Info

ID:	235668
PubChem CID:	92710354
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	7.02
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-5-methyl-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CSCCO2

DOS

IR

Vibrations