Geometry & MOs

Info

ID:	51893
PubChem CID:	12014657
Reduced:	ClSO2F5C12H22 (1)
Stoich.:	ABC2D5E12F22 (1)
Weight, g/mol:	777.16175
ΔH_f, kcal/mol:	-393.88
Dipole, Da:	6.55
IP(EA), eV:	-10.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetonitrile;(1Z,5Z)-cycloocta-1,5-diene;diphenylphosphanylmethyl(diphenyl)phosphane;formaldehyde;molybdenum(2+);tetrafluoroborate

Drug info:

PubChemData

Smile

CC(=O)OCCCCCCCCC(CS(F)(F)(F)(F)F)Cl

DOS

IR

Vibrations