Geometry & MOs

Info

ID:	365729
PubChem CID:	127318454
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	380.041998
ΔH_f, kcal/mol:	-117.46
Dipole, Da:	4.61
IP(EA), eV:	-9.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NC2CCN(CC2)C(=O)C3CC4CCC3O4

DOS

IR

Vibrations