Geometry & MOs

Info

ID:	154438
PubChem CID:	56313877
Reduced:	FSN3O4H16C19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	420.096677
ΔH_f, kcal/mol:	-126.24
Dipole, Da:	2.55
IP(EA), eV:	-9.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)S1)CCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations