Geometry & MOs

Info

ID:	220146
PubChem CID:	85165294
Reduced:	SSiO4N5C34H57 (1)
Stoich.:	ABC4D5E34F57 (1)
Weight, g/mol:	660.293448
ΔH_f, kcal/mol:	-205.01
Dipole, Da:	7.08
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,15-diacetyloxy-12-hydroxy-14,19,20,20-tetramethyl-9-phenyl-4,8,10-trioxapentacyclo[9.7.1.113,17.02,5.07,19]icos-13-en-18-yl) benzoate

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

CCC1CC(C2(C(C(C(C(O2)CC(C(C)CCCSC3=NN=NN3C4=CC=CC=C4)O[Si](CC)(CC)CC)C)O)C)NC1=O)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

CCC1CC(C2(C(C(C(C(O2)CC(C(C)CCCSC3=NN=NN3C4=CC=CC=C4)O[Si](CC)(CC)CC)C)O)C)NC1=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):