Geometry & MOs

Info

ID:	64025
PubChem CID:	26759709
Reduced:	BrSN2O5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-139.86
Dipole, Da:	7.35
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=C(C=CC(=C2)Br)OC)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations