Geometry & MOs

Info

ID:

309081

PubChem CID:

126536418

Reduced:

OSF2N5C23H29 (1)

Stoich.:

ABC2D5E23F29 (1)

Weight, g/mol:

697.012704

ΔHf, kcal/mol:

-101.01

Dipole, Da:

9.75

IP(EA), eV:

 -8.45(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(5,5-dimethyl-2-sulfanyl-1,3,2-dioxaphosphinan-2-ium-2-yl)sulfanylmethyl-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanylmethyl]phosphoryl]methylsulfanyl-(3-methoxy-2,2-dimethylpropoxy)phosphinothious acid

Drug info:

PubChemData

Smile

CC(CCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCN(CC4)C)(F)F

DOS

IR

Vibrations