Geometry & MOs

Info

ID:	333115
PubChem CID:	127251663
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	441.163474
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	5.06
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-1-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCCC3=CC=C(C=C3)F)NC4=CC=CC=N4

DOS

IR

Vibrations