Geometry & MOs

Info

ID:	855
PubChem CID:	3441
Reduced:	S2O3N4C17H26 (1)
Stoich.:	A2B3C4D17E26 (1)
Weight, g/mol:	398.144633
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	7.48
IP(EA), eV:	-8.84(-1.32)
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-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C

DOS

IR

Vibrations