Geometry & MOs

Info

ID:	395589
PubChem CID:	135025895
Reduced:	SN2O7C14H30 (1)
Stoich.:	AB2C7D14E30 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-275.33
Dipole, Da:	8.51
IP(EA), eV:	-8.1(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COCCCOCCOCCOCCOCCCNC(=S(=O)=O)N

DOS

IR

Vibrations