Geometry & MOs

Info

ID:	188179
PubChem CID:	77679915
Reduced:	ClSN2F3O5C15H20 (1)
Stoich.:	ABC2D3E5F15G20 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	-372.24
Dipole, Da:	5.48
IP(EA), eV:	-9.68(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-7-prop-2-enyl-1,3,4a,7a-tetrahydroimidazo[4,5-d]triazin-4-one

Drug info:

PubChemData

Smile

CC(C)N(CCO)S(=O)(=O)C1=CC(=C(C=C1)NC(=O)C(C)(C(F)(F)F)O)Cl

DOS

IR

Vibrations