Geometry & MOs

Info

ID:

134489

PubChem CID:

51704950

Reduced:

ClNSO4C26H26 (1)

Stoich.:

ABCD4E26F26 (1)

Weight, g/mol:

429.09322

ΔHf, kcal/mol:

-129.08

Dipole, Da:

6.64

IP(EA), eV:

 -9.05(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3R)-3-(2,2-dichloroethenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CS3)C4=CC(=CC=C4)Cl)C(=O)OC[C@@H]5CCCO5

DOS

IR

Vibrations