Geometry & MOs

Info

ID:	225037
PubChem CID:	85735792
Reduced:	FNO2S3H6C8 (1)
Stoich.:	ABC2D3E6F8 (1)
Weight, g/mol:	790.850583
ΔH_f, kcal/mol:	-63.09
Dipole, Da:	4.47
IP(EA), eV:	-9.73(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetrapentacontane-1,2-diol

Drug info:

PubChemData

Smile

C1SC(=NS1(=O)=O)SC2=CC=C(C=C2)F

DOS

IR

Vibrations