Geometry & MOs

Info

ID:	209226
PubChem CID:	80640359
Reduced:	SO2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	314.016828
ΔH_f, kcal/mol:	-13.25
Dipole, Da:	7.56
IP(EA), eV:	-9.59(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorothiophen-2-yl)-(4-phenoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SC2=NC=C(C=C2)C=O

DOS

IR

Vibrations