Geometry & MOs

Info

ID:	341898
PubChem CID:	127264591
Reduced:	NaS2N5O5C17H22 (1)
Stoich.:	AB2C5D5E17F22 (1)
Weight, g/mol:	441.114061
ΔH_f, kcal/mol:	-176.6
Dipole, Da:	12.68
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-butan-2-yloxyiminoacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-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

CCC(C)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)[O-].[Na+]

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

CCC(C)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)[O-].[Na+]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):