Geometry & MOs

Info

ID:	229700
PubChem CID:	87568520
Reduced:	S2Cl4N4O5H14C23 (1)
Stoich.:	A2B4C4D5E14F23 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-84.24
Dipole, Da:	5.55
IP(EA), eV:	-9.16(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylbutyl 3-ethylhexanoate

Drug info:

PubChemData

Smile

COC(=O)/C(=C\C1=CC(=C(C=C1)Cl)Cl)/NC(=O)C2=CC(=C(C=C2NS(=O)(=O)C3=CC=CC4=NSN=C43)Cl)Cl

DOS

IR

Vibrations