Geometry & MOs

Info

ID:	68209
PubChem CID:	46507969
Reduced:	SO2F3N4H19C23 (1)
Stoich.:	AB2C3D4E19F23 (1)
Weight, g/mol:	494.17879
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	5.21
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 6-(1-benzylpyrazol-4-yl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=C(C=CC=C3F)F)C(=O)NC4=NOC(=C4)C)C)F

DOS

IR

Vibrations