Geometry & MOs

Info

ID:

221743

PubChem CID:

85286098

Reduced:

S3O6N8C24H24 (1)

Stoich.:

A3B6C8D24E24 (1)

Weight, g/mol:

616.203193

ΔHf, kcal/mol:

-44.18

Dipole, Da:

6.24

IP(EA), eV:

 -9.08(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 10-oxo-5,5-diphenyl-9-[(2-phenylacetyl)amino]-7-thia-1-azatricyclo[6.2.0.03,6]dec-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations