Geometry & MOs

Info

ID:	355751
PubChem CID:	127290603
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-105.98
Dipole, Da:	6.52
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations