Geometry & MOs

Info

ID:	190892
PubChem CID:	78072148
Reduced:	S2N3O3F6H23C25 (1)
Stoich.:	A2B3C3D6E23F25 (1)
Weight, g/mol:	440.138148
ΔH_f, kcal/mol:	-361.17
Dipole, Da:	3.66
IP(EA), eV:	-9.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1,1-dioxo-4-phenylthian-4-yl)-4-(2,4,5-trifluorophenyl)butanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1(C2=NC(=CS2)C3=CC=C(C=C3)C(F)(F)F)NC(=O)CC(CC4=CC(=C(C=C4F)F)F)N

DOS

IR

Vibrations