Geometry & MOs

Info

ID:	158899
PubChem CID:	57244161
Reduced:	NSO7C15H21 (1)
Stoich.:	ABC7D15E21 (1)
Weight, g/mol:	664.094071
ΔH_f, kcal/mol:	-240.48
Dipole, Da:	8.87
IP(EA), eV:	-9.45(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-cyclopent-2-en-1-yloxyiminoacetyl]amino]-3-[[1-[2-carboxy-2-(methoxyamino)ethenyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-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

CC1=C(C(=C(C=C1)S(=O)(=O)OCCCC(=O)OC(C)(C)C)N=O)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

CC1=C(C(=C(C=C1)S(=O)(=O)OCCCC(=O)OC(C)(C)C)N=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):