Geometry & MOs

Info

ID:	67812
PubChem CID:	46507220
Reduced:	O2S2N3H13C17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	319.044919
ΔH_f, kcal/mol:	7.31
Dipole, Da:	3.91
IP(EA), eV:	-8.81(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxolan-2-ylmethyl)-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)N=CC=C4)NC2=S

DOS

IR

Vibrations