Geometry & MOs

Info

ID:

219840

PubChem CID:

85164950

Reduced:

ClS2N6O8C22H29 (1)

Stoich.:

AB2C6D8E22F29 (1)

Weight, g/mol:

604.173346

ΔHf, kcal/mol:

-257.44

Dipole, Da:

5.82

IP(EA), eV:

 -9.6(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)OC(C)OC(=O)C1=CCSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)NC(=O)C(C)[NH3+].[Cl-]

DOS

IR

Vibrations