Geometry & MOs

Info

ID:

163954

PubChem CID:

74381049

Reduced:

ClF3O4N6H28C29 (1)

Stoich.:

AB3C4D6E28F29 (1)

Weight, g/mol:

617.176515

ΔHf, kcal/mol:

-264.73

Dipole, Da:

5.72

IP(EA), eV:

 -9.16(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-8-oxo-9-[[4-(trifluoromethyl)phenyl]methyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]-4-(2,4-dioxoimidazolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2CC(=O)NC2=O)C(=O)CC3CC4=CC(=C5C(=C4CN(C3=O)CC6=CC=C(C=C6)C(F)(F)F)C=NN5)Cl

DOS

IR

Vibrations