Geometry & MOs

Info

ID:	48608
PubChem CID:	11109921
Reduced:	S2N3O3C12H19 (1)
Stoich.:	A2B3C3D12E19 (1)
Weight, g/mol:	317.14495
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	4.76
IP(EA), eV:	-9.43(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3S)-1-[(1S)-1-phenylethyl]-5-sulfanylidenepyrrolidin-3-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)C1=NSN=C1OC2CN3CC[C@@H]2C3

DOS

IR

Vibrations