Geometry & MOs

Info

ID:	163833
PubChem CID:	74380523
Reduced:	SO3N5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	433.193632
ΔH_f, kcal/mol:	4.79
Dipole, Da:	4.8
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(5-ethylpyrimidin-2-yl)amino]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N=C(S2)N)C(=O)N3C(CC4C3C4)CNC(=O)C5=C6C(=CC=C5)OC=N6

DOS

IR

Vibrations