Geometry & MOs

Info

ID:	335577
PubChem CID:	127254439
Reduced:	F2N4O4H12C15 (1)
Stoich.:	A2B4C4D12E15 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-211.95
Dipole, Da:	3.51
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetamido-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)C2=C(NC(=O)N2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations