Geometry & MOs

Info

ID:	50125
PubChem CID:	12012630
Reduced:	ClOSN2H11C18 (1)
Stoich.:	ABCD2E11F18 (1)
Weight, g/mol:	381.97755
ΔH_f, kcal/mol:	64.24
Dipole, Da:	6.71
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-bromophenyl)-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)Cl

DOS

IR

Vibrations