Geometry & MOs

Info

ID:	42322
PubChem CID:	8149434
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	416.164402
ΔH_f, kcal/mol:	-106.45
Dipole, Da:	5.39
IP(EA), eV:	-8.73(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)NC3=CC=C(C=C3)C(C)C)C

DOS

IR

Vibrations