Geometry & MOs

Info

ID:	273170
PubChem CID:	103770621
Reduced:	NSO2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	270.121572
ΔH_f, kcal/mol:	-126.93
Dipole, Da:	2.75
IP(EA), eV:	-8.7(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1CCSC1)O

DOS

IR

Vibrations