Geometry & MOs

Info

ID:	162067
PubChem CID:	57393504
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	382.2654
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	6.69
IP(EA), eV:	-8.13(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[5-[3-(dimethylamino)propylsulfanyl]pentyl]-1,3-oxazol-2-yl]octan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C1C(=C(C3=NC=NC=C23)O)SC4=CC=C(C=C4)OC)N

DOS

IR

Vibrations