Geometry & MOs

Info

ID:

219102

PubChem CID:

85090526

Reduced:

O2N3C36H49 (1)

Stoich.:

A2B3C36D49 (1)

Weight, g/mol:

556.122812

ΔHf, kcal/mol:

-67.96

Dipole, Da:

3.81

IP(EA), eV:

 -8.57(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[(6,7-difluoro-4-oxo-3H-quinoline-3-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(C)CCCCCCCCN2CCC(CC2)(C)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations