Geometry & MOs

Info

ID:	159606
PubChem CID:	57288523
Reduced:	S2C5O6H10 (1)
Stoich.:	A2B5C6D10 (1)
Weight, g/mol:	555.20055
ΔH_f, kcal/mol:	-257.17
Dipole, Da:	8.22
IP(EA), eV:	-10.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[4-(4-nitrophenyl)-4-oxobutan-2-ylidene]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CCOS(=O)(=O)C=S(=O)(OC1)O

DOS

IR

Vibrations