Geometry & MOs

Info

ID:	190891
PubChem CID:	78071939
Reduced:	FO3N4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	591.108503
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	6.86
IP(EA), eV:	-8.67(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[1,1-dioxo-4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thian-4-yl]-4-(2,4,5-trifluorophenyl)butanamide

Drug info:

PubChemData

Smile

CC(CO)NC1=NC(=C(C2=C1C=CC=N2)O)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations