Geometry & MOs

Info

ID:	344183
PubChem CID:	127267359
Reduced:	SN2O5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-147.66
Dipole, Da:	6.06
IP(EA), eV:	-9.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-(2-cyclopropyl-2-hydroxypropyl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CO)NC(=O)C1=COC(=N1)SCC2=CC=CC=C2

DOS

IR

Vibrations