Geometry & MOs

Info

ID:	58952
PubChem CID:	24723501
Reduced:	NSO3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	352.07693
ΔH_f, kcal/mol:	-28.34
Dipole, Da:	4.78
IP(EA), eV:	-9.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(3-phenoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1COC(O1)C2=CC=C(S2)C(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations