Geometry & MOs

Info

ID:

176518

PubChem CID:

76061789

Reduced:

S3O5N9H17C19 (1)

Stoich.:

A3B5C9D17E19 (1)

Weight, g/mol:

760.198519

ΔHf, kcal/mol:

-0.67

Dipole, Da:

5.51

IP(EA), eV:

 -9.06(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-amino-2-[4-[7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]oxyphenyl]acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NC=NC5=C4C=NN5)C(=O)O

DOS

IR

Vibrations