Geometry & MOs

Info

ID:	28560
PubChem CID:	828365
Reduced:	SN2O2H14C19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	334.077599
ΔH_f, kcal/mol:	33.76
Dipole, Da:	6.39
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-amino-4-(4-methoxyphenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N

DOS

IR

Vibrations