Geometry & MOs

Info

ID:	133125
PubChem CID:	51480290
Reduced:	SN3O7C20H29 (1)
Stoich.:	AB3C7D20E29 (1)
Weight, g/mol:	490.096535
ΔH_f, kcal/mol:	-293.06
Dipole, Da:	6.2
IP(EA), eV:	-9.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations