Geometry & MOs

Info

ID:	343089
PubChem CID:	127266262
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	349.167142
ΔH_f, kcal/mol:	-70.62
Dipole, Da:	4.31
IP(EA), eV:	-9.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-1-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](C1)S(=O)(=O)NCC2=CC=CC=C2CN3C=CC=N3)O

DOS

IR

Vibrations