Geometry & MOs

Info

ID:	381409
PubChem CID:	134972133
Reduced:	BrN3O6C26H26 (1)
Stoich.:	AB3C6D26E26 (1)
Weight, g/mol:	603.210446
ΔH_f, kcal/mol:	-212.33
Dipole, Da:	4.98
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-(1,3-dioxolan-2-yl)-1-hydroxyethyl]-4-(ethoxymethoxy)-11-hydroxy-2-methyl-8-(phenylmethoxymethyl)-1H-naphtho[6,7-e]isoindole-3,7,10-trione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N1C=C(C2=C1C=C(C=C2)Br)[C@H](C(=O)N3[C@@H](COC3=O)C4=CC=CC=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N1C=C(C2=C1C=C(C=C2)Br)[C@H](C(=O)N3[C@@H](COC3=O)C4=CC=CC=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):