Geometry & MOs

Info

ID:	235047
PubChem CID:	92303945
Reduced:	NO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-112.15
Dipole, Da:	1.12
IP(EA), eV:	-9.11(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=C([C@H](CC2=O)C3=CC=C(C=C3)C(C)C)C(=O)OC)C

DOS

IR

Vibrations