Geometry & MOs

Info

ID:	170104
PubChem CID:	75197570
Reduced:	S2N3O5H11C16 (1)
Stoich.:	A2B3C5D11E16 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	4.78
IP(EA), eV:	-9.5(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CN2C(=O)C(=CC3=CC=CS3)SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations