Geometry & MOs

Info

ID:	234805
PubChem CID:	92303527
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	426.195486
ΔH_f, kcal/mol:	-100.43
Dipole, Da:	3.97
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-6-(3-fluorophenyl)-3-methyl-2-oxo-4-[(4-propan-2-ylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2[C@@H](SCC2=O)C3=CC=CC=C3NC(=O)CC(C)C

DOS

IR

Vibrations