Geometry & MOs

Info

ID:	37855
PubChem CID:	8025120
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	402.08306
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	9.28
IP(EA), eV:	-8.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(1-benzofuran-2-yl)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N(C)CC2=CC=C(C=C2)SC

DOS

IR

Vibrations