Geometry & MOs

Info

ID:

146375

PubChem CID:

53677534

Reduced:

SO6N7C30H35 (1)

Stoich.:

AB6C7D30E35 (1)

Weight, g/mol:

476.973516

ΔHf, kcal/mol:

-123.83

Dipole, Da:

9.79

IP(EA), eV:

 -8.5(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(2,2-dichloroethenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC(=C(C=C4)OC)OC)S(=O)(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations