Geometry & MOs

Info

ID:	189317
PubChem CID:	77840374
Reduced:	SiO2C19H35 (2)
Stoich.:	AB2C19D35 (2)
Weight, g/mol:	465.168205
ΔH_f, kcal/mol:	-361.18
Dipole, Da:	3.49
IP(EA), eV:	-8.72(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 7-oxo-6-(1-prop-2-enoxycarbonyloxyethyl)-3-[4-(tetrazol-1-yl)butyl]-4-thia-1-azabicyclo[3.2.0]heptane-3-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

CC(CCC=C(C)C)CC(C=CC1CCC2(C1CC(=CCCCC(=O)OC)C2)O[Si](C)(C)C(C)(C)C)O[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

CC(CCC=C(C)C)CC(C=CC1CCC2(C1CC(=CCCCC(=O)OC)C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):