Geometry & MOs

Info

ID:	170185
PubChem CID:	75205263
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	462.093266
ΔH_f, kcal/mol:	-119.66
Dipole, Da:	4.95
IP(EA), eV:	-8.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)CON=CC1=C(C=CC(=C1)OC)OC

DOS

IR

Vibrations