Geometry & MOs

Info

ID:	378
PubChem CID:	2679
Reduced:	SN4O6C18H26 (1)
Stoich.:	AB4C6D18E26 (1)
Weight, g/mol:	426.157306
ΔH_f, kcal/mol:	-241.64
Dipole, Da:	3.05
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl [2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate

Drug info:

PubChemData

Smile

CCOC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SC(=O)OCC

DOS

IR

Vibrations