Geometry & MOs

Info

ID:

221789

PubChem CID:

85286145

Reduced:

N2O9C34H42 (1)

Stoich.:

A2B9C34D42 (1)

Weight, g/mol:

622.159614

ΔHf, kcal/mol:

-331.44

Dipole, Da:

5.96

IP(EA), eV:

 -8.57(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 8-oxo-7-[(2-phenylacetyl)amino]-3-(3-phenylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC(CC=CC(=O)O)C(=O)C=CC1=CC=CC=C1)OC(=O)C(C)CNC(=O)C(CC2=CC=C(C=C2)OC)N

DOS

IR

Vibrations