Geometry & MOs

Info

ID:	80487
PubChem CID:	49834709
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	551.161424
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	9.58
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1=O)C=CC(=C2)N(CC3=CC=CC=C3)S(=O)(=O)C4=CN(C=N4)C

DOS

IR

Vibrations