Geometry & MOs

Info

ID:

186995

PubChem CID:

77513773

Reduced:

O7N9C44H59 (1)

Stoich.:

A7B9C44D59 (1)

Weight, g/mol:

724.218772

ΔHf, kcal/mol:

-272.07

Dipole, Da:

6.48

IP(EA), eV:

 -8.72(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-bis[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]butane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N(C)C1CN(CC1C(=O)NC(CC2CCC2)C(C(=O)N)O)C(=O)NC3=CC4=CC=CC=C4C=C3)NC(=O)C(C5CCCCC5)NC(=O)C6=NC=CN=C6

DOS

IR

Vibrations