Geometry & MOs

Info

ID:	221680
PubChem CID:	85285900
Reduced:	F2N2O4H34C35 (1)
Stoich.:	A2B2C4D34E35 (1)
Weight, g/mol:	587.309432
ΔH_f, kcal/mol:	1.87
Dipole, Da:	3.61
IP(EA), eV:	-8.54(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15-methoxy-2,6,14,17-tetramethyl-3,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-dien-4-yl) 2-(2,2-dimethylpropanoyloxyamino)-3-methylpentanoate

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

C1CC2CC(CC1N2CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

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

C1CC2CC(CC1N2CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):