Geometry & MOs

Info

ID:	28559
PubChem CID:	828362
Reduced:	BrNSO2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	334.077599
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	2.92
IP(EA), eV:	-8.94(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations