Geometry & MOs

Info

ID:

215131

PubChem CID:

85084203

Reduced:

N9O9C32H55 (1)

Stoich.:

A9B9C32D55 (1)

Weight, g/mol:

709.090566

ΔHf, kcal/mol:

-393.24

Dipole, Da:

9.36

IP(EA), eV:

 -9.61(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(methylsulfanylmethoxyimino)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)NC(C(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O)NC(CCCCN)C(=O)O

DOS

IR

Vibrations