Geometry & MOs

Info

ID:	32759
PubChem CID:	7848081
Reduced:	SN2O5C20H30 (1)
Stoich.:	AB2C5D20E30 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-227.63
Dipole, Da:	5.99
IP(EA), eV:	-9.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC(C)C)C

DOS

IR

Vibrations