Geometry & MOs

Info

ID:	59001
PubChem CID:	24770203
Reduced:	BrSN3O3C15H18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	364.156912
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	4.62
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCOC(=O)/C(=C(\NCC1=CN=C(C=C1)Br)/SC)/C#N

DOS

IR

Vibrations