Geometry & MOs

Info

ID:	54219
PubChem CID:	16953570
Reduced:	ClS2O3N4C16H17 (1)
Stoich.:	AB2C3D4E16F17 (1)
Weight, g/mol:	377.119798
ΔH_f, kcal/mol:	-53.81
Dipole, Da:	8.55
IP(EA), eV:	-9.16(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC3=NC=NC4=C3CCC4

DOS

IR

Vibrations