Geometry & MOs

Info

ID:	173986
PubChem CID:	75709162
Reduced:	SN2O5C29H42 (1)
Stoich.:	AB2C5D29E42 (1)
Weight, g/mol:	402.229386
ΔH_f, kcal/mol:	-209.7
Dipole, Da:	5.57
IP(EA), eV:	-9.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2,3-dimethylanilino)-8-methylidene-4-(4-propan-2-ylphenyl)-4,6,7,9-tetrahydropyrimido[1,2-a][1,3,5]triazin-6-olate

Drug info:

PubChemData

Smile

CCCCCCN(C(CCCCC)C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations