Geometry & MOs

Info

ID:	333843
PubChem CID:	127252395
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-53.02
Dipole, Da:	4.41
IP(EA), eV:	-9.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazol-2-yl)-[6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)(C)C3=CC=NN3

DOS

IR

Vibrations