Geometry & MOs

Info

ID:	305899
PubChem CID:	124973749
Reduced:	OSF3N7C18H18 (1)
Stoich.:	ABC3D7E18F18 (1)
Weight, g/mol:	434.119481
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	7.3
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-N-[6-[(2S)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]pyridin-2-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC2=NC(=NC(=C2)[C@H]3CCN(C3)C(=O)C4=NNC(=C4)C(F)(F)F)C

DOS

IR

Vibrations