Geometry & MOs

Info

ID:	280409
PubChem CID:	103849093
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-186.08
Dipole, Da:	2.12
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3)O

DOS

IR

Vibrations