Geometry & MOs

Info

ID:	312557
PubChem CID:	126606514
Reduced:	N2O2S2F3C25H25 (1)
Stoich.:	A2B2C2D3E25F25 (1)
Weight, g/mol:	300.051558
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	4.11
IP(EA), eV:	-8.62(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[difluoro-[2-(2-methylidene-6,7-didehydrochromen-3-yl)phenyl]methyl]phosphane

Drug info:

PubChemData

Smile

CC(C)(NCOC1=CC2=C(C=C1)C=C(C(=S)S2)C3=C(C=C(C=C3)CCCCC#N)C(F)(F)F)O

DOS

IR

Vibrations