Geometry & MOs

Info

ID:

189662

PubChem CID:

77885602

Reduced:

S2N3O4C14H17 (2)

Stoich.:

A2B3C4D14E17 (2)

Weight, g/mol:

582.203587

ΔHf, kcal/mol:

-209.73

Dipole, Da:

4.42

IP(EA), eV:

 -8.24(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-acetyloxy-2-phenylethyl)-7-[[3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-phenylpropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=C(SC=C3)N)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=C(C=CS3)N)C(=O)O)C

DOS

IR

Vibrations