Geometry & MOs

Info

ID:	1736
PubChem CID:	4963
Reduced:	O2S2N4C15H24 (1)
Stoich.:	A2B2C4D15E24 (1)
Weight, g/mol:	356.134068
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	2.79
IP(EA), eV:	-9.17(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide

Drug info:

PubChemData

Smile

CCCSSC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO

DOS

IR

Vibrations