Geometry & MOs

Info

ID:

184597

PubChem CID:

77182486

Reduced:

ClO3N12C39H45 (1)

Stoich.:

AB3C12D39E45 (1)

Weight, g/mol:

330.121572

ΔHf, kcal/mol:

24.9

Dipole, Da:

2.96

IP(EA), eV:

 -8.48(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=NN(N=C1)C2CC(C(C2O)O)N3C=NC4=C(N=C(N=C43)N5CCC(C5)NC(=O)NCC6=CC=NC=C6)NCC(C7=CC=CC=C7)C8=CC=CC=C8.Cl

DOS

IR

Vibrations