Geometry & MOs

Info

ID:	438473
PubChem CID:	135228214
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	361.159076
ΔH_f, kcal/mol:	-112.71
Dipole, Da:	2.57
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 3-[(E)-2-amino-2-[(E)-1-chloroethylideneamino]-1-(methylideneamino)ethenyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC2=NC=C(N2C=C1)CC(=O)OCC

DOS

IR

Vibrations