Geometry & MOs

Info

ID:	33736
PubChem CID:	7887822
Reduced:	NOF2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	401.134403
ΔH_f, kcal/mol:	-144.85
Dipole, Da:	3.33
IP(EA), eV:	-9.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations