Geometry & MOs

Info

ID:	390456
PubChem CID:	134999258
Reduced:	NSO4C20H29 (1)
Stoich.:	ABC4D20E29 (1)
Weight, g/mol:	287.046358
ΔH_f, kcal/mol:	-182.86
Dipole, Da:	3.77
IP(EA), eV:	-8.63(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1S)-2-nitro-1-thiophen-2-ylethyl]propanedioate

Drug info:

PubChemData

Smile

CCCCCC[C@@H](CC(=O)N1CCOC1=O)SCC2=CC=C(C=C2)OC

DOS

IR

Vibrations