Geometry & MOs

Info

ID:	159559
PubChem CID:	57288453
Reduced:	ClS2N5O6C17H18 (1)
Stoich.:	AB2C5D6E17F18 (1)
Weight, g/mol:	382.263682
ΔH_f, kcal/mol:	-141.18
Dipole, Da:	3.04
IP(EA), eV:	-9.43(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[octoxy(octyl)phosphoryl]oxybenzene

Drug info:

PubChemData

Smile

CC(C)ON=C(C1=CSC(=N1)NC=O)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)CCl)C(=O)O

DOS

IR

Vibrations