Geometry & MOs

Info

ID:	29214
PubChem CID:	832345
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	315.08639
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	6.98
IP(EA), eV:	-9.53(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethylsulfanyl-8-methyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

DOS

IR

Vibrations