Geometry & MOs

Info

ID:	280462
PubChem CID:	103849413
Reduced:	ClNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	272.046693
ΔH_f, kcal/mol:	-169.81
Dipole, Da:	6.47
IP(EA), eV:	-9.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)OCC(=O)NCC2(CCOC2)O

DOS

IR

Vibrations