Geometry & MOs

Info

ID:	388169
PubChem CID:	134988421
Reduced:	NSC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	228.023757
ΔH_f, kcal/mol:	33.39
Dipole, Da:	6.76
IP(EA), eV:	-9.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro-[(E)-1-chloro-1-ethoxyprop-1-en-2-yl]-propan-2-ylphosphane

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CC[C@@H]([C@H](C1)SC#N)SC#N

DOS

IR

Vibrations