Geometry & MOs

Info

ID:	298261
PubChem CID:	117648162
Reduced:	FO2N9C25H32 (1)
Stoich.:	AB2C9D25E32 (1)
Weight, g/mol:	329.795591
ΔH_f, kcal/mol:	-22.96
Dipole, Da:	5.53
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptasulfanyl propanedithioate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C#N)F)N[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C(C)C)N3N=CC=N3

DOS

IR

Vibrations