Geometry & MOs

Info

ID:	33494
PubChem CID:	7886728
Reduced:	N2S2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	360.060235
ΔH_f, kcal/mol:	-38.12
Dipole, Da:	3.54
IP(EA), eV:	-8.86(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)furan-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=CC(=C(C=C4)O)O

DOS

IR

Vibrations