Geometry & MOs

Info

ID:	147494
PubChem CID:	53787150
Reduced:	N3O5C9H13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	1248.268809
ΔH_f, kcal/mol:	-195.91
Dipole, Da:	7.96
IP(EA), eV:	-9.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,14,15,23,24-pentakis[(4-methoxybenzoyl)oxy]-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-5-yl] 4-methoxybenzoate

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

C1=NC(=O)NC(=C1C2[C@H]([C@@H]([C@H](O2)CO)O)O)N

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

C1=NC(=O)NC(=C1C2[C@H]([C@@H]([C@H](O2)CO)O)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):