Geometry & MOs

Info

ID:

302932

PubChem CID:

124403705

Reduced:

SN3O3C30H31 (1)

Stoich.:

AB3C3D30E31 (1)

Weight, g/mol:

497.231456

ΔHf, kcal/mol:

1.45

Dipole, Da:

5.6

IP(EA), eV:

 -8.36(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-1-[(3aS,4R,9bR)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylideneamino]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)CSC1=CC=CC=C1)/C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@H]3C=CC4)C5=C(C(=CC=C5)OC)OC

DOS

IR

Vibrations