Geometry & MOs

Info

ID:	331721
PubChem CID:	127249804
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	0.76
Dipole, Da:	3.01
IP(EA), eV:	-8.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-(4-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C=C(C=C2)OC)C(=O)N3CCOC(C3)C4=NC(=CC=C4)NC5=NC=CC=N5

DOS

IR

Vibrations