Geometry & MOs

Info

ID:	39698
PubChem CID:	8141977
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	351.04444
ΔH_f, kcal/mol:	-134.91
Dipole, Da:	4.82
IP(EA), eV:	-8.6(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCC[C@@H]3C4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations