Geometry & MOs

Info

ID:	44801
PubChem CID:	10505997
Reduced:	ClSSiN2O4C25H27 (1)
Stoich.:	ABCD2E4F25G27 (1)
Weight, g/mol:	388.321555
ΔH_f, kcal/mol:	-110.7
Dipole, Da:	2.2
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S,8R,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

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[Si](C)(C)ONC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

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[Si](C)(C)ONC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):