Geometry & MOs

Info

ID:

219301

PubChem CID:

85098608

Reduced:

Cl2S2O3N7C35H43 (1)

Stoich.:

A2B2C3D7E35F43 (1)

Weight, g/mol:

745.395168

ΔHf, kcal/mol:

-70.75

Dipole, Da:

2.92

IP(EA), eV:

 -8.01(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[1-[[3-(1H-indol-3-yl)-1-[[1-[2-(1H-indol-3-yl)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NCCN)NC(=O)C(CC1=CC=CS1)NC(=O)NC2=CC3=C(C=C2)C(=CN3CC4=C(C=CC=C4Cl)Cl)CN5CCCC5

DOS

IR

Vibrations