Geometry & MOs

Info

ID:

382564

PubChem CID:

134973807

Reduced:

CrSiO9C35H42 (1)

Stoich.:

ABC9D35E42 (1)

Weight, g/mol:

396.198383

ΔHf, kcal/mol:

-98.93

Dipole, Da:

7.12

IP(EA), eV:

 -7.12(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(1S,2S)-2-(naphthalen-1-ylcarbamothioylamino)cyclohexyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=[Cr])OCCOCC#CC(C)COCC2=CC=CC=C2)C)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations