Geometry & MOs

Info

ID:

188149

PubChem CID:

77673851

Reduced:

ClSF3O5N6H24C28 (1)

Stoich.:

ABC3D5E6F24G28 (1)

Weight, g/mol:

389.22339

ΔHf, kcal/mol:

-205.83

Dipole, Da:

8.53

IP(EA), eV:

 -8.58(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-1-[4-(2-chlorophenyl)-1,2,3,3a,4,5,5a,6,6a,7,8,9,10,10a,10b,10c-hexadecahydropyrrolo[3,4-c]carbazol-9-yl]ethanol

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1CC(NC1)C#CC2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)OC5=CC=CC=N5)Cl.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations