Geometry & MOs

Info

ID:	376057
PubChem CID:	134222059
Reduced:	SO2F3N4H17C18 (1)
Stoich.:	AB2C3D4E17F18 (1)
Weight, g/mol:	482.088801
ΔH_f, kcal/mol:	-117.48
Dipole, Da:	7.54
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2-chloro-4-[(E)-4-[3-chloro-4-(methylaminomethyl)phenyl]-1,1,1-trifluorobut-3-en-2-yl]phenyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CS(=NC#N)C1=NC=C(C=C1)C2=CC=C(C=C2)[C@H]([C@@H](CF)NC(=O)C(F)F)O

DOS

IR

Vibrations