Geometry & MOs

Info

ID:	307682
PubChem CID:	125308046
Reduced:	F2N3O5C34H39 (1)
Stoich.:	A2B3C5D34E39 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-260.01
Dipole, Da:	3.0
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5S)-5-ethyl-4-methyl-6-oxo-5H-pyrimidin-2-yl]-5-methylpyrazol-3-yl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCC[C@H]2COC)C(=O)N[C@H](CC3=CC(=CC(=C3)F)F)[C@@H]([C@@H]4C[C@H](CN4)OC5=CC=CC=C5)O

DOS

IR

Vibrations