Geometry & MOs

Info

ID:	13969
PubChem CID:	401115
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-32.6
Dipole, Da:	3.55
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-ethyl-4-phenyl-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)C3=C(S2)NC(=O)N(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations