Geometry & MOs

Info

ID:

305301

PubChem CID:

124767974

Reduced:

SCl2N2O3C20H20 (1)

Stoich.:

AB2C2D3E20F20 (1)

Weight, g/mol:

449.292994

ΔHf, kcal/mol:

-90.71

Dipole, Da:

2.73

IP(EA), eV:

 -8.68(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(1R,2S,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]-N-[[(1S,2S,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(S2)NC(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]3C(=O)OC(CCl)CCl)C=C4

DOS

IR

Vibrations