Geometry & MOs

Info

ID:	78835
PubChem CID:	49737846
Reduced:	OSN8H16C18 (1)
Stoich.:	ABC8D16E18 (1)
Weight, g/mol:	382.067051
ΔH_f, kcal/mol:	121.41
Dipole, Da:	10.81
IP(EA), eV:	-9.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,1,3-benzothiadiazol-4-yl)-2-[2-[(4-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=NC(=CS2)CC(=O)NC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations