Geometry & MOs

Info

ID:	32924
PubChem CID:	7849487
Reduced:	NSO5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	401.129694
ΔH_f, kcal/mol:	-179.71
Dipole, Da:	7.01
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations