Geometry & MOs

Info

ID:	336228
PubChem CID:	127255235
Reduced:	O4N5H15C16 (1)
Stoich.:	A4B5C15D16 (1)
Weight, g/mol:	306.069908
ΔH_f, kcal/mol:	-26.97
Dipole, Da:	5.75
IP(EA), eV:	-8.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(tetrazol-1-yl)butanamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NCCC2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations