Geometry & MOs

Info

ID:	344306
PubChem CID:	127267482
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-103.47
Dipole, Da:	4.83
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[(5-methyl-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)CNC(=O)C(C)OCC3CCCO3

DOS

IR

Vibrations