Geometry & MOs

Info

ID:	375698
PubChem CID:	134220851
Reduced:	OS2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	417.118084
ΔH_f, kcal/mol:	176.45
Dipole, Da:	2.41
IP(EA), eV:	-6.42(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[5-(5-methylthiophen-2-yl)oxypyridin-2-yl]-5lambda6-thia-2,6-diazatricyclo[7.3.1.02,7]tridec-6-ene 5,5-dioxide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)OC2=CN=C(C=C2)C34CCC(CC3)N5C4=NSCC5

DOS

IR

Vibrations