Geometry & MOs

Info

ID:	408158
PubChem CID:	135080918
Reduced:	BS2O3N6H29C38 (1)
Stoich.:	AB2C3D6E29F38 (1)
Weight, g/mol:	1721.4428
ΔH_f, kcal/mol:	113.36
Dipole, Da:	6.59
IP(EA), eV:	-7.58(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=CC=CC5=C3N=C6[N+]1=C(C7=CC=CC=C76)N=C8N2C(=N4)C9=CC=CC=C98)OC1=CC=C(C=C1)OC(=O)CCCCC1CCSS1

DOS

IR

Vibrations