Geometry & MOs

Info

ID:	163962
PubChem CID:	74381078
Reduced:	SN3O4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	498.242653
ΔH_f, kcal/mol:	-60.08
Dipole, Da:	12.72
IP(EA), eV:	-7.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(benzenesulfonamido)ethyl-[[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]methyl]-dimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations