Geometry & MOs

Info

ID:	164673
PubChem CID:	74436016
Reduced:	NO6C27H29 (1)
Stoich.:	AB6C27D29 (1)
Weight, g/mol:	859.318654
ΔH_f, kcal/mol:	-202.96
Dipole, Da:	7.04
IP(EA), eV:	-9.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitrooxybutyl 3-[2-(12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl)-2-oxoethoxy]carbonyloxy-2-(6-nitrooxyhexanoylamino)propanoate

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(C)(C)OC(=O)NC(C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)O

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(C)(C)OC(=O)NC(C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):