Geometry & MOs

Info

ID:	63802
PubChem CID:	26759217
Reduced:	ClNSO4H18C19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	389.085242
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	3.94
IP(EA), eV:	-8.93(-1.0)
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-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations