Geometry & MOs

Info

ID:	441679
PubChem CID:	135240198
Reduced:	SF3N3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	478.17871
ΔH_f, kcal/mol:	-88.58
Dipole, Da:	4.94
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[7-(azetidine-1-carbonyl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

Drug info:

PubChemData

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CC1=CSC2=C1N=CN=C2NC(C)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations