Geometry & MOs

Info

ID:	322130
PubChem CID:	126668777
Reduced:	BrNSF3H7C11 (1)
Stoich.:	ABCD3E7F11 (1)
Weight, g/mol:	284.131971
ΔH_f, kcal/mol:	-115.73
Dipole, Da:	3.15
IP(EA), eV:	-8.83(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(phosphanylidynemethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methylidynephosphane

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=C(C=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations