Geometry & MOs

Info

ID:	52943
PubChem CID:	14709253
Reduced:	SO2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	362.09498
ΔH_f, kcal/mol:	2.84
Dipole, Da:	3.62
IP(EA), eV:	-8.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-[(4-methoxyphenyl)methyl]-17-thia-2,9,11,12,14,15-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,13,15-heptaene

Drug info:

PubChemData

Smile

CC(=O)NN1C(=NNC1=S)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations