Geometry & MOs

Info

ID:	33483
PubChem CID:	7886690
Reduced:	OS2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	39.3
Dipole, Da:	5.41
IP(EA), eV:	-8.93(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)CSC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations