Geometry & MOs

Info

ID:

9702

PubChem CID:

92499

Reduced:

S2N4O13C27H36 (1)

Stoich.:

A2B4C13D27E36 (1)

Weight, g/mol:

688.17203

ΔHf, kcal/mol:

-501.51

Dipole, Da:

8.36

IP(EA), eV:

 -9.11(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methoxymethyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-6-oxohexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCC(=O)N[C@]2([C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC)OC)C(=O)OCOC

DOS

IR

Vibrations