Geometry & MOs

Info

ID:	138919
PubChem CID:	52443175
Reduced:	FO3N4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	468.217284
ΔH_f, kcal/mol:	-122.81
Dipole, Da:	5.2
IP(EA), eV:	-8.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-6-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=C([C@H](NC(=O)N3)C4=CC(=CC=C4)F)C(=O)OC)C

DOS

IR

Vibrations