Geometry & MOs

Info

ID:	50000
PubChem CID:	11538696
Reduced:	NSO7C19H19 (1)
Stoich.:	ABC7D19E19 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-219.33
Dipole, Da:	4.8
IP(EA), eV:	-9.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxycyclohexyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/OC(C(=O)OC)C(=O)OC

DOS

IR

Vibrations