Geometry & MOs

Info

ID:

168266

PubChem CID:

74942267

Reduced:

SN16O16C47H78 (1)

Stoich.:

AB16C16D47E78 (1)

Weight, g/mol:

447.170668

ΔHf, kcal/mol:

-711.24

Dipole, Da:

6.08

IP(EA), eV:

 -8.6(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]-1'-hydroxy-1'-methylspiro[cyclohexane-1,3'-indene]-2'-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations