Geometry & MOs

Info

ID:	403316
PubChem CID:	135059710
Reduced:	BrS2N3O6C21H26 (1)
Stoich.:	AB2C3D6E21F26 (1)
Weight, g/mol:	438.03612
ΔH_f, kcal/mol:	-145.09
Dipole, Da:	7.18
IP(EA), eV:	-9.4(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-azido-2-bromo-1-(3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](CC[C@@H]([C@H]1C2=CSC=C2)Br)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations