Geometry & MOs

Info

ID:	387444
PubChem CID:	134985404
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-17.18
Dipole, Da:	5.83
IP(EA), eV:	-9.49(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methoxyphenyl)-2-nitropentanoate

Drug info:

PubChemData

Smile

C/C=C/[C@@H]1[C@H](N1S(=O)(=O)N(C)C)C2=CC=CC=C2

DOS

IR

Vibrations