Geometry & MOs

Info

ID:	429441
PubChem CID:	135169490
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	12.7
Dipole, Da:	3.09
IP(EA), eV:	-8.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxymethyl]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](C(C2=CC=CC=C21)NC3=NC4=C(S3)C=C(C=C4)OCC5=C(C=NC=C5)Cl)O

DOS

IR

Vibrations