Geometry & MOs

Info

ID:

47338

PubChem CID:

10531664

Reduced:

SO4N5C33H39 (1)

Stoich.:

AB4C5D33E39 (1)

Weight, g/mol:

601.227824

ΔHf, kcal/mol:

-111.09

Dipole, Da:

8.31

IP(EA), eV:

 -8.68(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]-1-[(2-chlorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C3=NC(=C(S3)C4=CC=CC=C4)C(=O)O)NC(=O)N5CCCCCC5

DOS

IR

Vibrations