Geometry & MOs

Info

ID:	80217
PubChem CID:	49833615
Reduced:	ClSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	560.05666
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	10.58
IP(EA), eV:	-8.44(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[[2-methoxy-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=C(C=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=NN(C=C4)C

DOS

IR

Vibrations