Geometry & MOs

Info

ID:	365756
PubChem CID:	127318481
Reduced:	O2S2N3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-10.59
Dipole, Da:	8.23
IP(EA), eV:	-8.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)NC3=NC(=NS3)C4=CSC=C4

DOS

IR

Vibrations