Geometry & MOs

Info

ID:

222951

PubChem CID:

85333455

Reduced:

F2N7O7C35H39 (1)

Stoich.:

A2B7C7D35E39 (1)

Weight, g/mol:

707.327204

ΔHf, kcal/mol:

-297.09

Dipole, Da:

15.07

IP(EA), eV:

 -8.52(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[3-[[2-(dimethylamino)cyclohexyl]carbamoyl]cyclopentyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7CC7)F)F

DOS

IR

Vibrations