Geometry & MOs

Info

ID:	435419
PubChem CID:	135191413
Reduced:	FO3N5C27H34 (1)
Stoich.:	AB3C5D27E34 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	-127.05
Dipole, Da:	3.71
IP(EA), eV:	-8.19(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[[4-[6-(aminomethyl)-2-methylpyrimidin-4-yl]oxyphenyl]methyl]thiohydroxylamine

Drug info:

PubChemData

Smile

C/C/1=C\C(=C/C=C/NC(=O)\C1=C/C2=C(C(=C(N2)C)NC(=O)C3CCCN(C3)C(=O)N4CCCC4)C)\F

DOS

IR

Vibrations