Geometry & MOs

Info

ID:

395253

PubChem CID:

135025027

Reduced:

NPO2H19C21 (1)

Stoich.:

ABC2D19E21 (1)

Weight, g/mol:

418.138485

ΔHf, kcal/mol:

31.99

Dipole, Da:

2.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.966699

Charge, e:

 0

Chem-info

IUPAC name:

(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-[(4R)-4-methyl-2-phenyl-5H-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

COC(=O)C[N-]/C=C\1/C=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations