Geometry & MOs

Info

ID:	63913
PubChem CID:	26759465
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-208.29
Dipole, Da:	2.27
IP(EA), eV:	-8.37(-0.56)
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-(3,4-dimethoxyphenyl)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)OC

DOS

IR

Vibrations