Geometry & MOs

Info

ID:	331637
PubChem CID:	127249720
Reduced:	F2O2N5H21C22 (1)
Stoich.:	A2B2C5D21E22 (1)
Weight, g/mol:	428.143073
ΔH_f, kcal/mol:	-82.17
Dipole, Da:	1.79
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1COC(CN1CC(=O)NC2=CC=CC=C2F)C3=NC(=CC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations