Geometry & MOs

Info

ID:	220960
PubChem CID:	85247995
Reduced:	ON2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	248.083078
ΔH_f, kcal/mol:	33.09
Dipole, Da:	2.33
IP(EA), eV:	-9.34(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1-methylsulfanyl-2-nitroethenyl)amino]butanoate

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=N2)C3=NC4=CC=CC=C4C(=O)C31

DOS

IR

Vibrations