Geometry & MOs

Info

ID:

168699

PubChem CID:

75005179

Reduced:

ClSO3N7C39H40 (1)

Stoich.:

ABC3D7E39F40 (1)

Weight, g/mol:

721.260187

ΔHf, kcal/mol:

62.56

Dipole, Da:

9.12

IP(EA), eV:

 -9.22(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[[[4-[[9-(2-chlorophenyl)-3,7-dimethyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]methyl]phenyl]-pyridin-3-ylmethylidene]amino]oxypentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCCON=C(C1=CN=CC=C1)C2=CC=CC(=C2)CN3CCC4=C(C3)SC5=C4C(=NC(C6=NN=C(N65)C)C)C7=CC=CC=C7Cl

DOS

IR

Vibrations