Geometry & MOs

Info

ID:	196831
PubChem CID:	78884685
Reduced:	BrSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	412.099397
ΔH_f, kcal/mol:	-168.57
Dipole, Da:	7.96
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)CS(=O)(=O)C2CCCC2

DOS

IR

Vibrations