Geometry & MOs

Info

ID:

188681

PubChem CID:

77753457

Reduced:

N6O9C46H78 (1)

Stoich.:

A6B9C46D78 (1)

Weight, g/mol:

641.267191

ΔHf, kcal/mol:

-526.36

Dipole, Da:

8.37

IP(EA), eV:

 -9.67(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-dibenzylethane-1,2-diamine;3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)OCC1=CC=CC=C1)NC(=O)CC(C)NC(=O)CC(C(C)C)NC(=O)C(CC(C)C)CNC(=O)C(C)CNC(=O)C(CNC(=O)OC(C)(C)C)C(C)C

DOS

IR

Vibrations