Geometry & MOs

Info

ID:	125808
PubChem CID:	50939530
Reduced:	O5C37H50 (1)
Stoich.:	A5B37C50 (1)
Weight, g/mol:	525.381809
ΔH_f, kcal/mol:	-248.16
Dipole, Da:	8.08
IP(EA), eV:	-9.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S,8S,10R,15S)-1,2,5,8,15,20,20-heptamethyl-13,18-dioxo-N-propan-2-yl-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricos-11-ene-8-carboxamide

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@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CCC(=O)OC(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)(C)C(=O)OCC6=CC=CC=C6

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@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CCC(=O)OC(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)(C)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):