Geometry & MOs

Info

ID:

12130

PubChem CID:

131106

Reduced:

ClSF3N4O7C36H38 (1)

Stoich.:

ABC3D4E7F36G38 (1)

Weight, g/mol:

762.210183

ΔHf, kcal/mol:

-378.36

Dipole, Da:

8.82

IP(EA), eV:

 -9.7(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-1-[[2-[2,3-dihydro-1H-inden-2-yl-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]acetyl]amino]-3-methyl-1-oxobutan-2-yl]benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(=O)CN(C1CC2=CC=CC=C2C1)[C@@H](C(C)C)C(=O)C(F)(F)F)NC(=O)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations