Geometry & MOs

Info

ID:	279358
PubChem CID:	103843404
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-101.07
Dipole, Da:	3.46
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C=CC(=C1)SC)C)CO

DOS

IR

Vibrations