Geometry & MOs

Info

ID:

189543

PubChem CID:

77870406

Reduced:

SN4O4C15H24 (1)

Stoich.:

AB4C4D15E24 (1)

Weight, g/mol:

710.166545

ΔHf, kcal/mol:

-190.93

Dipole, Da:

3.34

IP(EA), eV:

 -9.24(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;7-[[2-[carbamoyl-(2-cyclopropyl-4-oxo-1,3-diazinan-5-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(C(=O)C1NC(CS1)C(=O)N)NC(=O)C2CCCC(=O)N2

DOS

IR

Vibrations