Geometry & MOs

Info

ID:	50126
PubChem CID:	12012631
Reduced:	BrOSN2H11C18 (1)
Stoich.:	ABCD2E11F18 (1)
Weight, g/mol:	305.062283
ΔH_f, kcal/mol:	76.18
Dipole, Da:	6.74
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-pyridin-3-yl-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Br

DOS

IR

Vibrations