Geometry & MOs

Info

ID:	401401
PubChem CID:	135051176
Reduced:	NSO2C10H12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	594.985456
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	7.8
IP(EA), eV:	-8.71(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2,2-dichloro-1-[(Z)-[chloro(phenyl)methylidene]amino]ethenyl]-triphenyl-lambda5-phosphanyl] perchlorate

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C=C(C=C1)OC)SSC2=C(C=CC(=C2)OC)C(=O)NCC

DOS

IR

Vibrations