Geometry & MOs

Info

ID:	292117
PubChem CID:	114465315
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	277.109627
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	5.13
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)sulfonyl]carbamate

Drug info:

PubChemData

Smile

CC(=C)COCCNC1=C(C=CC(=C1)S(=O)(=O)NC)N

DOS

IR

Vibrations