Geometry & MOs

Info

ID:	307774
PubChem CID:	125309040
Reduced:	NS2O4C12H17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-139.45
Dipole, Da:	1.94
IP(EA), eV:	-9.58(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[acetyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1H-indol-5-yl)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@H](S(=O)(=O)N1C)S(=O)(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations