Geometry & MOs

Info

ID:	147747
PubChem CID:	53787405
Reduced:	O3C24H32 (1)
Stoich.:	A3B24C32 (1)
Weight, g/mol:	598.984387
ΔH_f, kcal/mol:	-70.62
Dipole, Da:	4.99
IP(EA), eV:	-9.29(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-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

C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C2)C5(CC5O)C=CCO

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

C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C2)C5(CC5O)C=CCO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):