Geometry & MOs

Info

ID:	160165
PubChem CID:	57304885
Reduced:	N3S3O4C12H13 (1)
Stoich.:	A3B3C4D12E13 (1)
Weight, g/mol:	325.120486
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	5.1
IP(EA), eV:	-9.41(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[5-(3-carboxybutyl)-2,3-dihydrofuran-4-yl]-dihydroxyphosphanium

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=NN=C(S1)SC2=NC(=CS2)CC(=O)O

DOS

IR

Vibrations