Geometry & MOs

Info

ID:	300468
PubChem CID:	121286307
Reduced:	SF3N5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	293.102508
ΔH_f, kcal/mol:	-59.65
Dipole, Da:	6.81
IP(EA), eV:	-8.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1H-benzimidazol-2-yl)-3-prop-2-ynyl-2,6-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=C(C=C2)N)C(=S)NC3=NC=C(N=C3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations