Geometry & MOs

Info

ID:	302348
PubChem CID:	124361357
Reduced:	NO6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	437.241352
ΔH_f, kcal/mol:	-214.03
Dipole, Da:	5.71
IP(EA), eV:	-9.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3aS,5S,5aS,6R,8S,8aS,9R,9aR)-8-acetyloxy-9-hydroxy-5,8a-dimethyl-2-oxo-1-(pyrrolidin-1-ylmethyl)-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate

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@H](C)[C@@H](C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=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@H](C)[C@@H](C(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):