Geometry & MOs

Info

ID:	388476
PubChem CID:	134989254
Reduced:	PN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	212.87851
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	6.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754695
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-C-chloro-N-[chloro(difluoro)methyl]carbonimidoyl] thiohypochlorite

Drug info:

PubChemData

Smile

CN(C)C(=[N+](C)C)P(=O)(C1=CC=CC=C1)O

DOS

IR

Vibrations