Geometry & MOs

Info

ID:	328892
PubChem CID:	126728819
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	48.38
Dipole, Da:	1.9
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[(4Z)-4-(1-aminoethylidene)-5-ethenylimino-2-oxoimidazolidin-1-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C#N)SCN(C)C1=CC=NC=C1

DOS

IR

Vibrations