Geometry & MOs

Info

ID:	149413
PubChem CID:	53789086
Reduced:	FN2O2C25H33 (1)
Stoich.:	AB2C2D25E33 (1)
Weight, g/mol:	338.260966
ΔH_f, kcal/mol:	-109.77
Dipole, Da:	3.37
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8S,9R,10S,13S,14S,17R)-13-ethyl-4'-methyl-3',11-dimethylidenespiro[1,2,5,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]

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]1CN([C@H](CN1C(=O)COC2=CC=CC(=C2)C(C)(C)C)C)CC3=CC=C(C=C3)F

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]1CN([C@H](CN1C(=O)COC2=CC=CC(=C2)C(C)(C)C)C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):