Geometry & MOs

Info

ID:	233229
PubChem CID:	89449378
Reduced:	SF3N3O3C23H28 (1)
Stoich.:	AB3C3D3E23F28 (1)
Weight, g/mol:	469.022323
ΔH_f, kcal/mol:	-254.05
Dipole, Da:	9.87
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-[2-oxo-6-(trifluoromethoxy)quinolin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCC(CC2)/C=C\3/C(=NC(=O)S3)N[C@H]4CCOC[C@@H]4O)C(F)(F)F

DOS

IR

Vibrations