Geometry & MOs

Info

ID:

215038

PubChem CID:

85084041

Reduced:

NO10C37H57 (1)

Stoich.:

AB10C37D57 (1)

Weight, g/mol:

675.322199

ΔHf, kcal/mol:

-456.73

Dipole, Da:

11.26

IP(EA), eV:

 -9.72(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-amino-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)pentyl]-1-[3-[[2-(trifluoromethyl)phenyl]methyl]benzoyl]pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1CCC2C(C(=O)C=CCCC=CC(CCC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)O)O)CO)C

DOS

IR

Vibrations