Geometry & MOs

Info

ID:	50606
PubChem CID:	12013162
Reduced:	NO5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	323.051067
ΔH_f, kcal/mol:	-202.12
Dipole, Da:	2.11
IP(EA), eV:	-8.09(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-methyl-6-methylsulfanyl-3-thia-5,7,9,10,12-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C(=O)OCC)(C(=O)OCC)NC1=CC=C(C=C1)OC

DOS

IR

Vibrations