Geometry & MOs

Info

ID:	156224
PubChem CID:	56369694
Reduced:	N3O3S3C21H23 (1)
Stoich.:	A3B3C3D21E23 (1)
Weight, g/mol:	441.095869
ΔH_f, kcal/mol:	-41.83
Dipole, Da:	9.23
IP(EA), eV:	-9.31(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations