Geometry & MOs

Info

ID:	154036
PubChem CID:	56313401
Reduced:	FON2S2C22H23 (1)
Stoich.:	ABC2D2E22F23 (1)
Weight, g/mol:	416.222369
ΔH_f, kcal/mol:	-28.34
Dipole, Da:	1.66
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations