Geometry & MOs

Info

ID:

179445

PubChem CID:

76484344

Reduced:

OC31H50 (2)

Stoich.:

AB31C50 (2)

Weight, g/mol:

893.14139

ΔHf, kcal/mol:

-222.37

Dipole, Da:

1.71

IP(EA), eV:

 -8.4(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(iodomethyl)-7-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(CCC4)OC5=CC(=C(C=C5)OC6CCCC7C6(C8CCC9(C(C8CC7)CCC9C(C)CCCC(C)C)C)C)C=C)C)C

DOS

IR

Vibrations