Geometry & MOs

Info

ID:

80218

PubChem CID:

49833625

Reduced:

ClS2F3N4O4H20C22 (1)

Stoich.:

AB2C3D4E4F20G22 (1)

Weight, g/mol:

613.119594

ΔHf, kcal/mol:

-233.14

Dipole, Da:

2.26

IP(EA), eV:

 -9.82(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC(=CC(=N1)C2=CC=C(C=C2)C(F)(F)F)CNC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations