Geometry & MOs

Info

ID:	317337
PubChem CID:	126636387
Reduced:	FON2C25H27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	561.257396
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	5.78
IP(EA), eV:	-7.76(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-3-[[(2E,9S,11Z,13R)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-10,16-dioxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-20-yl]oxy]propyl]acetamide

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)OC1=CC=C(C=C1)CC2=C(C=C(C=C2)F)C(=C)NC3=CC(=C)NC=C3

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)OC1=CC=C(C=C1)CC2=C(C=C(C=C2)F)C(=C)NC3=CC(=C)NC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):