Geometry & MOs

Info

ID:

170426

PubChem CID:

75231472

Reduced:

ClSN2O4C24H27 (1)

Stoich.:

ABC2D4E24F27 (1)

Weight, g/mol:

499.171298

ΔHf, kcal/mol:

-120.43

Dipole, Da:

11.82

IP(EA), eV:

 -8.17(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

lithium;6-[[2-[[2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(C3CCC(=CC=C4C=CC(=O)C=C4)NC3C2O)Cl

DOS

IR

Vibrations