Geometry & MOs

Info

ID:

304802

PubChem CID:

124766188

Reduced:

NO2H12C14 (2)

Stoich.:

AB2C12D14 (2)

Weight, g/mol:

417.145534

ΔHf, kcal/mol:

-90.13

Dipole, Da:

0.11

IP(EA), eV:

 -8.73(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(3aS,4R,7R,7aR)-2-(3-chloro-4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl]methyl]-3-tert-butylurea

Drug info:

PubChemData

Smile

C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=O)[C@@H]6CC=CC[C@H]6C5=O

DOS

IR

Vibrations