Geometry & MOs

Info

ID:

214855

PubChem CID:

85083747

Reduced:

SN3O3C38H45 (1)

Stoich.:

AB3C3D38E45 (1)

Weight, g/mol:

624.147668

ΔHf, kcal/mol:

-74.89

Dipole, Da:

3.73

IP(EA), eV:

 -8.96(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[(2-hydroxy-2-pyridin-2-ylethyl)amino]ethyl]phenyl]-4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CC=CC=C1)NCC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations