Geometry & MOs

Info

ID:

132380

PubChem CID:

51351595

Reduced:

SN3O9H35C42 (1)

Stoich.:

AB3C9D35E42 (1)

Weight, g/mol:

421.118416

ΔHf, kcal/mol:

-189.06

Dipole, Da:

5.91

IP(EA), eV:

 -8.22(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(dimethylamino)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations