Geometry & MOs

Info

ID:	175504
PubChem CID:	75910977
Reduced:	SN4O5H18C21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	354.101369
ΔH_f, kcal/mol:	-40.09
Dipole, Da:	5.0
IP(EA), eV:	-9.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=CSC(=N2)COC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations