Geometry & MOs

Info

ID:	146650
PubChem CID:	53724176
Reduced:	O11C14H20 (1)
Stoich.:	A11B14C20 (1)
Weight, g/mol:	539.046393
ΔH_f, kcal/mol:	-462.49
Dipole, Da:	3.85
IP(EA), eV:	-10.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(methylcarbamoyloxyimino)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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(=O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)OC(=O)C(=O)C)OC(=O)C)O

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(=O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)OC(=O)C(=O)C)OC(=O)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):