Geometry & MOs

Info

ID:	232309
PubChem CID:	87575955
Reduced:	PN5O24C60H74 (1)
Stoich.:	AB5C24D60E74 (1)
Weight, g/mol:	242.94313
ΔH_f, kcal/mol:	-982.93
Dipole, Da:	9.16
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentane-1,5-dithiol;silver

Drug info:

Smile

CCOC(=O)C(COCOC(=O)C)(COP(=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)OC(=O)CCC(=O)C)OC)OCC(COCOC(=O)C)(C(=O)OCC)C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations