Geometry & MOs

Info

ID:	141993
PubChem CID:	52964773
Reduced:	OS2N6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	440.145302
ΔH_f, kcal/mol:	59.4
Dipole, Da:	3.44
IP(EA), eV:	-8.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-15-ethyl-15-methyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,13(18)-tetraene

Drug info:

PubChemData

Smile

CCC1(CC2=C(CO1)SC3=C2C4NCNN4C5=NNC(=S)N35)C

DOS

IR

Vibrations