Geometry & MOs

Info

ID:	60385
PubChem CID:	26683958
Reduced:	SO2N3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	386.223238
ΔH_f, kcal/mol:	0.11
Dipole, Da:	7.24
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methyl-[(1S)-1-(4-methylphenyl)propyl]azanium

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N)C3=CC=CC=C3

DOS

IR

Vibrations