Geometry & MOs

Info

ID:	219916
PubChem CID:	85165039
Reduced:	NSiO6C36H45 (1)
Stoich.:	ABC6D36E45 (1)
Weight, g/mol:	615.333977
ΔH_f, kcal/mol:	-244.07
Dipole, Da:	2.6
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-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

CC1(OC2C(C(C=C(C2O1)C3=CC(=CC=C3)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)O[Si](C)(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

CC1(OC2C(C(C=C(C2O1)C3=CC(=CC=C3)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):