Geometry & MOs

Info

ID:	171393
PubChem CID:	75371754
Reduced:	ClO4N5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	5.44
IP(EA), eV:	-9.51(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethylpyrazol-4-yl)-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC(=O)C(C)CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations