Geometry & MOs

Info

ID:

220015

PubChem CID:

85165145

Reduced:

O5C18H20 (2)

Stoich.:

A5B18C20 (2)

Weight, g/mol:

632.151175

ΔHf, kcal/mol:

-332.06

Dipole, Da:

2.42

IP(EA), eV:

 -9.43(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-(4-hydroxybut-1-ynyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C3OCC(C2OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O3)C

DOS

IR

Vibrations