Geometry & MOs

Info

ID:	160250
PubChem CID:	57309596
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	315.051658
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	7.48
IP(EA), eV:	-8.43(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(propylsulfanyl)phosphinothioyl]oxy-3-phenylbutanenitrile

Drug info:

PubChemData

Smile

CCN1C(=NC(=C1C(C)C)SC2=CC=CC(=C2)[N+](=O)[O-])COCC

DOS

IR

Vibrations