Geometry & MOs

Info

ID:	235140
PubChem CID:	92304112
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	211.23
ΔH_f, kcal/mol:	-122.73
Dipole, Da:	0.44
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-ethyl-2-[(2S)-2,4,4-trimethylpentyl]pyrrolidine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C1=NN=C(O1)SC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations