Geometry & MOs

Info

ID:	235028
PubChem CID:	92303911
Reduced:	OF2S2N3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	4.83
IP(EA), eV:	-8.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-4-[(3,5-dimethylphenoxy)methyl]-3-ethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3F)F

DOS

IR

Vibrations