Geometry & MOs

Info

ID:	150458
PubChem CID:	53790148
Reduced:	ClSF4O4N5H14C16 (1)
Stoich.:	ABC4D4E5F14G16 (1)
Weight, g/mol:	415.175989
ΔH_f, kcal/mol:	-298.57
Dipole, Da:	2.08
IP(EA), eV:	-9.38(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxycarbonyl-3-methyl-1-(phenylmethoxycarbonylamino)octan-3-yl]phosphonic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C2=C(C=C(C(=C2)NS(=O)(=O)N(C)CCC#N)Cl)F)C(F)(F)F

DOS

IR

Vibrations