Geometry & MOs

Info

ID:	390183
PubChem CID:	134997662
Reduced:	NSO13H63C68 (1)
Stoich.:	ABC13D63E68 (1)
Weight, g/mol:	1040.216549
ΔH_f, kcal/mol:	-288.3
Dipole, Da:	3.86
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OCC3C(C(C(C(O3)SC4=NC5=CC=CC=C5O4)OCC6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations