Geometry & MOs

Info

ID:	198276
PubChem CID:	79079758
Reduced:	ClSN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	2.65
IP(EA), eV:	-9.53(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)methyl]furan-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=NC(=C(S2)C(=O)OC)Cl

DOS

IR

Vibrations