Geometry & MOs

Info

ID:	64315
PubChem CID:	29199061
Reduced:	SO4N5C22H25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	456.110356
ΔH_f, kcal/mol:	-94.0
Dipole, Da:	7.12
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C)C

DOS

IR

Vibrations