Geometry & MOs

Info

ID:	282841
PubChem CID:	103941673
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	5.91
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[[5-[(1R)-1-hydroxyethyl]-3-nitrothiophen-2-yl]-methylamino]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)N(CCOC)C2CC2)[N+](=O)[O-])O

DOS

IR

Vibrations