Geometry & MOs

Info

ID:	32951
PubChem CID:	7849671
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	399.114044
ΔH_f, kcal/mol:	-119.72
Dipole, Da:	4.42
IP(EA), eV:	-9.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)COC(=O)/C=C/C1=CC=CC=C1C

DOS

IR

Vibrations