Geometry & MOs

Info

ID:

80184

PubChem CID:

49833434

Reduced:

Cl2O4N5H25C29 (1)

Stoich.:

A2B4C5D25E29 (1)

Weight, g/mol:

641.150894

ΔHf, kcal/mol:

-43.4

Dipole, Da:

4.64

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)OCC(CN5C=NC=N5)O)C(=O)OC6=CC=C(C=C6)Cl

DOS

IR

Vibrations