Geometry & MOs

Info

ID:	235081
PubChem CID:	92304002
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-99.57
Dipole, Da:	5.48
IP(EA), eV:	-8.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-4-[(3,4-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=C(C=C1)[C@H]2N(C(=O)CS2)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations