Geometry & MOs

Info

ID:	344184
PubChem CID:	127267360
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-61.54
Dipole, Da:	4.89
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-(4-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=COC(=N1)SCC2=CC=CC=C2)(C3CC3)O

DOS

IR

Vibrations