Geometry & MOs

Info

ID:	7236
PubChem CID:	71666
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	-81.89
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]formamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CN(C=O)C(=C2CCOC(=O)S2)C

DOS

IR

Vibrations