Geometry & MOs

Info

ID:

47335

PubChem CID:

10531657

Reduced:

SN3O9C29H35 (1)

Stoich.:

AB3C9D29E35 (1)

Weight, g/mol:

602.085518

ΔHf, kcal/mol:

-337.36

Dipole, Da:

1.91

IP(EA), eV:

 -8.62(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-[(2-trimethylstannyltetrazol-5-yl)methoxy]indolizin-1-yl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C([C@@H](N4[C@H](C(C2)N3)O)COC(=O)[C@H](CS5)N)C(=C(C(=C6OC(=O)C)C)OC)O)C(=C1OC)O

DOS

IR

Vibrations