Geometry & MOs

Info

ID:	333121
PubChem CID:	127251669
Reduced:	OSN6C22H22 (1)
Stoich.:	ABC6D22E22 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	93.03
Dipole, Da:	6.37
IP(EA), eV:	-9.0(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-2-yl]-6-methylpyridin-4-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=C4C=CC=NC4=CC=C3)NC5=NN=CS5

DOS

IR

Vibrations