Geometry & MOs

Info

ID:	133208
PubChem CID:	51493446
Reduced:	OSN5C23H34 (1)
Stoich.:	ABC5D23E34 (1)
Weight, g/mol:	356.179659
ΔH_f, kcal/mol:	19.97
Dipole, Da:	7.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886164
Charge, e:	1

Chem-info

IUPAC name:

(2-hydroxy-5-methylphenyl)methyl-(3-imidazol-1-ylpropyl)-[(5-methylthiophen-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCC4

DOS

IR

Vibrations