Geometry & MOs

Info

ID:	133879
PubChem CID:	51607735
Reduced:	FO3N4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	3.46
IP(EA), eV:	-8.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(4-fluorophenyl)-2-oxo-6-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)F)CN3CCN(CC3)C4=C(C=CC(=C4)C)C

DOS

IR

Vibrations