Geometry & MOs

Info

ID:	83054
PubChem CID:	49857071
Reduced:	NSSiO4C24H45 (1)
Stoich.:	ABCD4E24F45 (1)
Weight, g/mol:	676.466267
ΔH_f, kcal/mol:	-276.34
Dipole, Da:	4.35
IP(EA), eV:	-8.59(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-3-[(6R)-6-[(2S,3R)-3-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-7-methoxy-7-oxoheptyl]-2-[(2R)-1-methoxy-1-oxohept-6-en-2-yl]piperidine-1-carboxylate

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

CCSC(=O)[C@H](CC=C)[C@@H]1[C@H](CCCN1C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)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

CCSC(=O)[C@H](CC=C)[C@@H]1[C@H](CCCN1C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):