Geometry & MOs

Info

ID:	16904
PubChem CID:	479217
Reduced:	OC10H16 (3)
Stoich.:	AB10C16 (3)
Weight, g/mol:	456.360345
ΔH_f, kcal/mol:	-190.25
Dipole, Da:	3.51
IP(EA), eV:	-9.43(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6R,9R,11S,13S,22R)-9-(2-hydroxypropan-2-yl)-4,6,13,18,18-pentamethyl-10-oxahexacyclo[12.9.0.01,22.04,13.05,11.017,22]tricosan-19-one

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

C[C@@H]1CC[C@@H](O[C@@H]2C1[C@]3(CCC45C[C@@]46CCC(=O)C(C6CCC5[C@@]3(C2)C)(C)C)C)C(C)(C)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

C[C@@H]1CC[C@@H](O[C@@H]2C1[C@]3(CCC45C[C@@]46CCC(=O)C(C6CCC5[C@@]3(C2)C)(C)C)C)C(C)(C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):