Geometry & MOs

Info

ID:	38431
PubChem CID:	8050550
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	353.157326
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	3.15
IP(EA), eV:	-8.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-[2-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea

Drug info:

PubChemData

Smile

CCCN(CC1=C(C=CC(=C1)NC(=O)C2CC2)N(C)C)C(=O)C(C)(C)C

DOS

IR

Vibrations