Geometry & MOs

Info

ID:	30675
PubChem CID:	841698
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	281.065654
ΔH_f, kcal/mol:	-57.34
Dipole, Da:	3.1
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-11-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1=CSC2=C1CCCC2

DOS

IR

Vibrations