Geometry & MOs

Info

ID:	222641
PubChem CID:	85305864
Reduced:	ClO2S2N5H12C16 (1)
Stoich.:	AB2C2D5E12F16 (1)
Weight, g/mol:	463.227631
ΔH_f, kcal/mol:	102.16
Dipole, Da:	8.19
IP(EA), eV:	-9.06(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-diphenylphosphoryl-5-(1-phenylethylamino)hexanoate

Drug info:

PubChemData

Smile

CC(=NNC(=S)NC1=NC2=C(S1)C=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations