Geometry & MOs

Info

ID:	391497
PubChem CID:	135005894
Reduced:	SO4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-169.43
Dipole, Da:	5.48
IP(EA), eV:	-9.3(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(2-methoxyphenyl)-4-nitropentanal

Drug info:

PubChemData

Smile

CCC(C)OC1(CS(=O)(=O)C1C2=CC=CC=C2)OC(C)CC

DOS

IR

Vibrations