Geometry & MOs

Info

ID:	39634
PubChem CID:	8141708
Reduced:	ClSO3N4C18H19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	354.03421
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	3.04
IP(EA), eV:	-9.23(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-1,3-benzothiazol-2-yl)-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

DOS

IR

Vibrations