Geometry & MOs

Info

ID:

187020

PubChem CID:

77519126

Reduced:

FCl2O2N4C22H25 (1)

Stoich.:

AB2C2D4E22F25 (1)

Weight, g/mol:

451.185569

ΔHf, kcal/mol:

-90.04

Dipole, Da:

6.46

IP(EA), eV:

 -9.04(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S,8S)-4,17-bis(dimethylamino)-7,8-dihydroxy-5,14-dioxo-10,11-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-1(20),6,9,12,15,17-hexaene-6-carboxamide

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)NC(CO)C2=CC(=C(C=C2)F)Cl)C3C(CNN3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations