Geometry & MOs

Info

ID:	226582
PubChem CID:	87544236
Reduced:	SSiN2F3O5C32H43 (1)
Stoich.:	ABC2D3E5F32G43 (1)
Weight, g/mol:	268.069536
ΔH_f, kcal/mol:	-402.84
Dipole, Da:	6.13
IP(EA), eV:	-8.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,4-dinitrophenyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CCC1(C/C(=C/C(=O)NC2=C3CCS(=O)(=O)N(C3=CC=C2)CCO[Si](C)(C)C(C)(C)C)/C4=C(O1)C=C(C=C4)C(F)(F)F)CC

DOS

IR

Vibrations