Geometry & MOs

Info

ID:	42495
PubChem CID:	8149622
Reduced:	SN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	400.169488
ΔH_f, kcal/mol:	-17.03
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752180
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]amino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)CCCNC1=C(N=C(O1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations