Geometry & MOs

Info

ID:	178476
PubChem CID:	76334553
Reduced:	ClN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	331.173487
ΔH_f, kcal/mol:	63.22
Dipole, Da:	0.81
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-(2-methylpropyl)-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine

Drug info:

PubChemData

Smile

C1CN(C(=N1)C2=CC=CC=C2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations