Geometry & MOs

Info

ID:

147357

PubChem CID:

53787013

Reduced:

ON4C25H26 (1)

Stoich.:

AB4C25D26 (1)

Weight, g/mol:

516.015587

ΔHf, kcal/mol:

53.4

Dipole, Da:

1.49

IP(EA), eV:

 -7.63(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C13C=NC4=CC(=C5C(=C4O3)C=CC=N5)N6CCCC6)C)C

DOS

IR

Vibrations