Geometry & MOs

Info

ID:

146758

PubChem CID:

53745236

Reduced:

NO3C12H20 (2)

Stoich.:

AB3C12D20 (2)

Weight, g/mol:

574.984387

ΔHf, kcal/mol:

-309.18

Dipole, Da:

5.56

IP(EA), eV:

 -9.17(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R)-7-[[2-(3-hydroxy-2-imino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(=O)CC(N1CC(=O)OCCOC(=O)CN2C(CC(=O)CC2(C)C)(C)C)(C)C)C

DOS

IR

Vibrations