Geometry & MOs

Info

ID:	382584
PubChem CID:	134973841
Reduced:	SiO4C26H42 (1)
Stoich.:	AB4C26D42 (1)
Weight, g/mol:	426.349781
ΔH_f, kcal/mol:	-205.93
Dipole, Da:	6.86
IP(EA), eV:	-8.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,10R,13S)-10,13-dimethyl-17-(6-methylhept-1-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-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

CC1=CC(=O)C[C@]2(C1=C(C(=C2C(=COC)C)CO[Si](C(C)C)(C(C)C)C(C)C)OC)C

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

CC1=CC(=O)C[C@]2(C1=C(C(=C2C(=COC)C)CO[Si](C(C)C)(C(C)C)C(C)C)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):