Geometry & MOs

Info

ID:	154637
PubChem CID:	56314121
Reduced:	S2N3O5H21C22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	435.132729
ΔH_f, kcal/mol:	-124.82
Dipole, Da:	11.61
IP(EA), eV:	-8.13(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC(=CC=C3)N4CCOC4=O

DOS

IR

Vibrations