Geometry & MOs

Info

ID:	376061
PubChem CID:	134222063
Reduced:	FSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	600.097652
ΔH_f, kcal/mol:	-61.43
Dipole, Da:	6.05
IP(EA), eV:	-9.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(E)-3-[3-(4-amino-2-oxopyrimidin-1-yl)-5-chloro-4-methylphenyl]-4,4,4-trifluorobut-1-enyl]-2-chlorophenyl]methyl]-3-methylsulfinylpropanamide

Drug info:

PubChemData

Smile

CS(=N)(=O)C1=NC=C(C=C1)C2=CC=C(C=C2)[C@H](CCF)O

DOS

IR

Vibrations