Geometry & MOs

Info

ID:	64023
PubChem CID:	26759707
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-172.75
Dipole, Da:	6.23
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations