Geometry & MOs

Info

ID:	153477
PubChem CID:	56312699
Reduced:	N3S3O5C21H23 (1)
Stoich.:	A3B3C5D21E23 (1)
Weight, g/mol:	410.108956
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	3.68
IP(EA), eV:	-8.41(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations