Geometry & MOs

Info

ID:	440206
PubChem CID:	135230116
Reduced:	O7C15H18 (1)
Stoich.:	A7B15C18 (1)
Weight, g/mol:	316.12792
ΔH_f, kcal/mol:	-295.55
Dipole, Da:	5.44
IP(EA), eV:	-9.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylpentan-2-ylsulfanyl (Z)-N-[(Z)-3-nitrobut-1-enyl]but-2-enimidothioate

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC=C(C=C1)OC2CC(CC(O2)C(=O)O)O

DOS

IR

Vibrations