Geometry & MOs

Info

ID:	148336
PubChem CID:	53787998
Reduced:	NO2S2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	3.34
IP(EA), eV:	-8.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminobutanoate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CS(=O)C2=CC=CS2

DOS

IR

Vibrations