Geometry & MOs

Info

ID:	375010
PubChem CID:	131465167
Reduced:	ClNOF3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	188.004434
ΔH_f, kcal/mol:	-199.35
Dipole, Da:	5.44
IP(EA), eV:	-9.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-benzothiazole-6-carbonyl cyanide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)[C@@H]([C@@H](C(F)(F)F)O)N

DOS

IR

Vibrations