Geometry & MOs

Info

ID:	59000
PubChem CID:	24770202
Reduced:	N2O2C8H11 (2)
Stoich.:	A2B2C8D11 (2)
Weight, g/mol:	399.02523
ΔH_f, kcal/mol:	-104.96
Dipole, Da:	7.76
IP(EA), eV:	-9.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl (E)-3-[(6-bromopyridin-3-yl)methylamino]-2-cyano-3-methylsulfanylprop-2-enoate

Drug info:

PubChemData

Smile

CC/C(=C(\C#N)/C(=O)OCCOCC)/NCC1=CN=C(N=C1)OC

DOS

IR

Vibrations