Geometry & MOs

Info

ID:	18923
PubChem CID:	551015
Reduced:	NSO2C17H31 (1)
Stoich.:	ABC2D17E31 (1)
Weight, g/mol:	313.20755
ΔH_f, kcal/mol:	-137.42
Dipole, Da:	2.86
IP(EA), eV:	-8.55(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3,4-dimethylpent-2-enylsulfanylmethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(=CCSCC1CCCN1C(=O)OC(C)(C)C)C

DOS

IR

Vibrations