Geometry & MOs

Info

ID:	333109
PubChem CID:	127251657
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	5.82
IP(EA), eV:	-8.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(ethoxymethyl)phenyl]-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=C(C=CC=N4)C)C

DOS

IR

Vibrations