Geometry & MOs

Info

ID:	308169
PubChem CID:	125317216
Reduced:	SO2N5H13C15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	327.078996
ΔH_f, kcal/mol:	22.77
Dipole, Da:	3.22
IP(EA), eV:	-9.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,8R)-8-(2-hydroxyphenyl)-6-methyl-12-sulfanylidene-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),4-trien-10-one

Drug info:

PubChemData

Smile

C[C@H]1C2=C(NC3=C([C@@H]2C4=CC=CC=C4O)C(=O)NC(=S)N3)N=N1

DOS

IR

Vibrations