Geometry & MOs

Info

ID:	333105
PubChem CID:	127251653
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	447.117667
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	7.11
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenoxy)-1-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCC3=NNC4=C3CCCC4)NC5=CC=CC=N5

DOS

IR

Vibrations