Geometry & MOs

Info

ID:	124859
PubChem CID:	50900090
Reduced:	NOC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	405.089561
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	3.51
IP(EA), eV:	-9.08(2.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-8-(4-nitrophenyl)-6-oxo-2,4-dihydropyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile

Drug info:

PubChemData

Smile

C[C@H](CO)[C@@H]1CCCCN1

DOS

IR

Vibrations