Geometry & MOs

Info

ID:	243583
PubChem CID:	99226952
Reduced:	SN3O5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	354.208947
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	4.9
IP(EA), eV:	-8.57(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(CCN1C(=O)C3=CC(=CC(=C3)S(=O)(=O)C)[N+](=O)[O-])C4=CC=CC=C4N2

DOS

IR

Vibrations