Geometry & MOs

Info

ID:	331982
PubChem CID:	127250268
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	440.185983
ΔH_f, kcal/mol:	-7.9
Dipole, Da:	2.48
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-[5-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CC2=CN=C(C=C2)C3CN(CCO3)CC4=CN=C(S4)C

DOS

IR

Vibrations