Geometry & MOs

Info

ID:	195362
PubChem CID:	78677491
Reduced:	O2S2N4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	421.106474
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	8.91
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CNC1=NN=C(S1)SC(C)C(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations