Geometry & MOs

Info

ID:	136958
PubChem CID:	52129654
Reduced:	FNO3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	400.028456
ΔH_f, kcal/mol:	-76.57
Dipole, Da:	3.53
IP(EA), eV:	-9.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)OC(=C2)C(=O)N(CC3=CC=CC=C3F)CC4=CC=CO4

DOS

IR

Vibrations