Geometry & MOs

Info

ID:	331708
PubChem CID:	127249791
Reduced:	FON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	24.24
Dipole, Da:	3.32
IP(EA), eV:	-8.69(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylindol-1-yl)-1-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCOC(C2)C3=NC(=CC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations