Geometry & MOs

Info

ID:	331686
PubChem CID:	127249769
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	1.98
Dipole, Da:	5.86
IP(EA), eV:	-8.4(-0.24)
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]-(3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=NNC(=C4)C(C)C

DOS

IR

Vibrations