Geometry & MOs

Info

ID:	163963
PubChem CID:	74381079
Reduced:	SN3O4C27H36 (1)
Stoich.:	AB3C4D27E36 (1)
Weight, g/mol:	534.296796
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	5.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.012353
Charge, e:	1

Chem-info

IUPAC name:

[4-(4-acetamidophenoxy)-4-oxobutyl]-[[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]methyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(CCNS(=O)(=O)C1=CC=CC=C1)CC2=CN=C(O2)C(C3CCCCC3)(C4=CC=CC=C4)O

DOS

IR

Vibrations