Geometry & MOs

Info

ID:	310503
PubChem CID:	126580958
Reduced:	ClSO2F3N6H12C17 (1)
Stoich.:	ABC2D3E6F12G17 (1)
Weight, g/mol:	233.081695
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	3.52
IP(EA), eV:	-9.7(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-1-dimethoxyphosphorylhept-5-yn-2-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(C=C1)N2C=C(C=N2)Cl)C3=CN4C=C(N=CC4=N3)C(F)(F)F

DOS

IR

Vibrations