Geometry & MOs

Info

ID:

43815

PubChem CID:

10321826

Reduced:

SN4O5C22H24 (1)

Stoich.:

AB4C5D22E24 (1)

Weight, g/mol:

456.180682

ΔHf, kcal/mol:

-104.71

Dipole, Da:

6.12

IP(EA), eV:

 -8.94(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(dimethylamino)phenyl]ethyl]-2-(1-hydroxy-2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CO[C@@]12[C@@H](C3=C(N1C[C@H]4[C@@H]2N4)C(=O)C(=C(C3=O)N)CSCC5=CC=CC=C5)COC(=O)N

DOS

IR

Vibrations