Geometry & MOs

Info

ID:	191728
PubChem CID:	78182360
Reduced:	SN2O6C26H30 (1)
Stoich.:	AB2C6D26E30 (1)
Weight, g/mol:	235.074562
ΔH_f, kcal/mol:	-192.63
Dipole, Da:	6.43
IP(EA), eV:	-9.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,14,16-heptaen-12-one

Drug info:

PubChemData

Smile

CCOC(=O)N1C(C2C3C1(CCC3CN2S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC)C5=CC=CC=C5

DOS

IR

Vibrations