Geometry & MOs

Info

ID:	282846
PubChem CID:	103941993
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	286.098728
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	4.34
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[5-[(1S)-1-hydroxyethyl]-3-nitrothiophen-2-yl]-methylamino]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)N2CCCC(C2)N(C)C)[N+](=O)[O-])O

DOS

IR

Vibrations