Geometry & MOs

Info

ID:	234329
PubChem CID:	92298193
Reduced:	SO5C7H14 (1)
Stoich.:	AB5C7D14 (1)
Weight, g/mol:	533.107913
ΔH_f, kcal/mol:	-237.93
Dipole, Da:	1.22
IP(EA), eV:	-9.18(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CS[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)O)CO

DOS

IR

Vibrations