Geometry & MOs

Info

ID:	431574
PubChem CID:	135171662
Reduced:	BrFSO4N6C22H22 (1)
Stoich.:	ABCD4E6F22G22 (1)
Weight, g/mol:	171.089543
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	5.04
IP(EA), eV:	-9.2(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S,5R)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)S(=N)(=O)C)CC(=O)N3C[C@@H](C[C@H]3C(=O)NC4=NC(=CC=C4)Br)F

DOS

IR

Vibrations