Geometry & MOs

Info

ID:	63499
PubChem CID:	26758496
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	345.11765
ΔH_f, kcal/mol:	-144.64
Dipole, Da:	12.17
IP(EA), eV:	-8.92(-1.01)
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-difluorobenzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CC=CO3

DOS

IR

Vibrations