Geometry & MOs

Info

ID:	333102
PubChem CID:	127251650
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	4.49
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC(=NC(=C2)C)C3CN(CCO3)C(=O)C4=C(ON=C4C(C)C)C

DOS

IR

Vibrations