Geometry & MOs

Info

ID:	128440
PubChem CID:	51044509
Reduced:	F3N3O3H12C17 (1)
Stoich.:	A3B3C3D12E17 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	-191.13
Dipole, Da:	5.15
IP(EA), eV:	-9.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(tetrazol-1-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N[C@H](C(=O)N2)CC(=O)NC3=CC(=C(C(=C3)F)F)F

DOS

IR

Vibrations