Geometry & MOs

Info

ID:	59020
PubChem CID:	24770335
Reduced:	SN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-91.71
Dipole, Da:	4.74
IP(EA), eV:	-9.55(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl (Z)-2-cyano-3-[(2-methoxypyrimidin-5-yl)methylamino]-4-methylpent-2-enoate

Drug info:

PubChemData

Smile

CCOCCOC(=O)/C(=C(\NCC1=NN=C(C=C1)OCC)/SC)/C#N

DOS

IR

Vibrations