Geometry & MOs

Info

ID:

134629

PubChem CID:

51729965

Reduced:

SN3O4C23H35 (1)

Stoich.:

AB3C4D23E35 (1)

Weight, g/mol:

473.156184

ΔHf, kcal/mol:

-161.57

Dipole, Da:

10.19

IP(EA), eV:

 -8.86(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1R,2R,3R,3aR)-1-benzoyl-2-thiophen-2-yl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl]-cyclopropylmethylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations