Geometry & MOs

Info

ID:	397985
PubChem CID:	135031271
Reduced:	O2Si2N3C32H51 (1)
Stoich.:	A2B2C3D32E51 (1)
Weight, g/mol:	552.345089
ΔH_f, kcal/mol:	-126.82
Dipole, Da:	4.03
IP(EA), eV:	-7.91(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2S,3R,12S,13R,14R,15S)-4,8,8,15,19,19-hexamethyl-11,22-dioxoheptacyclo[10.10.2.01,14.03,12.03,14.04,9.015,20]tetracosane-2,13-dicarboxylate

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

CC(C)C[C@@H]1[C@@](C(=O)N1C([Si](C)(C)C)[Si](C)(C)C)(CC2=CC=CC3=C2CCCC3)NC(=O)C4=CN(C=CC4)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

CC(C)C[C@@H]1[C@@](C(=O)N1C([Si](C)(C)C)[Si](C)(C)C)(CC2=CC=CC3=C2CCCC3)NC(=O)C4=CN(C=CC4)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):