Geometry & MOs

Info

ID:

82680

PubChem CID:

49856334

Reduced:

SN3O10C36H39 (1)

Stoich.:

AB3C10D36E39 (1)

Weight, g/mol:

349.197987

ΔHf, kcal/mol:

-289.3

Dipole, Da:

1.85

IP(EA), eV:

 -8.78(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-2-(2-methylphenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CSC[C@@H](C(=O)OCC=C)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations