Geometry & MOs

Info

ID:	280697
PubChem CID:	103850779
Reduced:	NSF2O3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-212.58
Dipole, Da:	1.79
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-1H-indole-6-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CSC1=C(C=C(C=C1)F)F

DOS

IR

Vibrations