Geometry & MOs

Info

ID:	403668
PubChem CID:	135061229
Reduced:	BSiO2C23H33 (1)
Stoich.:	ABC2D23E33 (1)
Weight, g/mol:	478.319543
ΔH_f, kcal/mol:	-172.9
Dipole, Da:	2.85
IP(EA), eV:	-8.72(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4aR,4bS,7R,8S,8aS)-8-[(2E)-2-[(4-methoxyphenyl)hydrazinylidene]ethyl]-4a,7-dimethyl-7-[(E)-prop-1-enyl]-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-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

B1(OC(C(O1)(C)C)(C)C)C(C2=CC=CC=C2)C(C)[Si](C)(C)C3=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

B1(OC(C(O1)(C)C)(C)C)C(C2=CC=CC=C2)C(C)[Si](C)(C)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):