Geometry & MOs

Info

ID:	60404
PubChem CID:	26684459
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	258.103814
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	3.98
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(4S)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]hexanoate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=S)N1)C2=CC=C(C=C2)C(=O)OC(C)C

DOS

IR

Vibrations