Geometry & MOs

Info

ID:	427543
PubChem CID:	135159716
Reduced:	FS2N4O6C22H23 (1)
Stoich.:	AB2C4D6E22F23 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-212.77
Dipole, Da:	7.41
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-fluoro-2-methylphenyl)-6-(2-hydroxyethoxymethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H]2C(=C3C[C@@H](CN3C(=N2)C4=NC=CS4)NS(=O)(=O)CC(=O)OC)C(=O)OC

DOS

IR

Vibrations