Geometry & MOs

Info

ID:	395071
PubChem CID:	135024581
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	162.050321
ΔH_f, kcal/mol:	-88.42
Dipole, Da:	1.99
IP(EA), eV:	-9.55(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenyl-2,5-dihydrothiophene

Drug info:

PubChemData

Smile

CC1(COC(=N1)C(/C=C/C(C2=CC=CC=C2)(C3=NC(CO3)(C)C)O)(C4=CC=CC=C4)O)C

DOS

IR

Vibrations