Geometry & MOs

Info

ID:	306191
PubChem CID:	125002420
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	483.101052
ΔH_f, kcal/mol:	-9.35
Dipole, Da:	5.78
IP(EA), eV:	-9.5(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)[C@@H]2CCCN2C(=O)CCC3=NC(=NO3)C(C)C

DOS

IR

Vibrations