Geometry & MOs

Info

ID:	249581
PubChem CID:	103090619
Reduced:	OSN3C7H13 (1)
Stoich.:	ABC3D7E13 (1)
Weight, g/mol:	272.063779
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	2.88
IP(EA), eV:	-8.47(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-ol

Drug info:

PubChemData

Smile

CSCCCC1C(=O)NC(=N1)N

DOS

IR

Vibrations