Geometry & MOs

Info

ID:	127942
PubChem CID:	51024074
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	624.248457
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	3.76
IP(EA), eV:	-9.23(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,8S,12S,13S,14R,17R,18R)-20,20-dimethyl-14,15,16,17-tetraphenyl-19,21-dioxa-20-silaheptacyclo[10.6.1.15,8.114,17.02,11.04,9.013,18]henicosa-2(11),3,6,9,15-pentaene

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]([C@H]1[C@@H]2C[C@H]([C@H]1[C@@H](C)O)C=C2)O

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]([C@H]1[C@@H]2C[C@H]([C@H]1[C@@H](C)O)C=C2)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):