Geometry & MOs

Info

ID:	275605
PubChem CID:	103816759
Reduced:	BrNSO2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-14.58
Dipole, Da:	3.81
IP(EA), eV:	-9.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)/C=C/C3=CC=C(S3)Br)O

DOS

IR

Vibrations