Geometry & MOs

Info

ID:	429640
PubChem CID:	135169689
Reduced:	SF2O2N5C19H21 (1)
Stoich.:	AB2C2D5E19F21 (1)
Weight, g/mol:	475.088368
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	3.2
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)pyridin-3-yl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)OCC3=NC(=NC=C3)N)SC(=N2)N[C@@H]4CCCC(C4)(F)F

DOS

IR

Vibrations